1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

C201H224Cl11F5N22O15S5 — CID 162058468

IUPAC1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
SMILESCOc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(C2=NNC(=O)C2)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1
InChIInChI=1S/C12H11ClO2S.C11H8Cl2.C11H8ClF.C11H10ClNO2S.C10H10N2O.C9H11NO2.4C8H10FN.C8H11NO3S.2C8H9NO.2C8H11N.C8H10O.C7H8ClN.2C7H7Cl.C7H9NO2S.C6H7ClN2.C6H6ClN.2C6H8N2.C5H5ClS/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-7-3-2-4-8(5-7)9-6-10(13)12-11-9;1-6-3-4-7(12-2)5-8(6)9(10)11;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h3-7H,1-2H3;2*2-6H,1H3;2-6H,1H3,(H2,13,14,15);2-5H,6H2,1H3,(H,12,13);3-5H,1-2H3,(H2,10,11);4*2-4H,5,10H2,1H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3
InChIKeyYZMQXIABYYLQAN-UHFFFAOYSA-N
MW3833.45 g/mol
LogP46.99
Rot. Bonds17

About 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (PubChem CID 162058468) has the molecular formula C201H224Cl11F5N22O15S5 and a molecular weight of 3833.45 g/mol. Its IUPAC name is 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.

Molecular Properties

Compound Name1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
PubChem CID162058468
Molecular FormulaC201H224Cl11F5N22O15S5
Molecular Weight3833.45 g/mol
Exact Mass3825.25
IUPAC Name1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
SMILESCOc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(C2=NNC(=O)C2)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1
InChIInChI=1S/C12H11ClO2S.C11H8Cl2.C11H8ClF.C11H10ClNO2S.C10H10N2O.C9H11NO2.4C8H10FN.C8H11NO3S.2C8H9NO.2C8H11N.C8H10O.C7H8ClN.2C7H7Cl.C7H9NO2S.C6H7ClN2.C6H6ClN.2C6H8N2.C5H5ClS/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-7-3-2-4-8(5-7)9-6-10(13)12-11-9;1-6-3-4-7(12-2)5-8(6)9(10)11;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h3-7H,1-2H3;2*2-6H,1H3;2-6H,1H3,(H2,13,14,15);2-5H,6H2,1H3,(H,12,13);3-5H,1-2H3,(H2,10,11);4*2-4H,5,10H2,1H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3
InChIKeyYZMQXIABYYLQAN-UHFFFAOYSA-N
XLogP46.99
TPSA724.80 Ų
H-Bond Donors17
H-Bond Acceptors31
Rotatable Bonds17
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003833.45
LogP ≤ 546.99
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The IUPAC name of 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (CID 162058468) is 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.
What is the SMILES notation for 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The canonical SMILES for 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(C2=NNC(=O)C2)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.
What is the InChIKey of 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The InChIKey is YZMQXIABYYLQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2S.C11H8Cl2.C11H8ClF.C11H10ClNO2S.C10H10N2O.C9H11NO2.4C8H10FN.C8H11NO3S.2C8H9NO.2C8H11N.C8H10O.C7H8ClN.2C7H7Cl.C7H9NO2S.C6H7ClN2.C6H6ClN.2C6H8N2.C5H5ClS/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-7-3-2-4-8(5-7)9-6-10(13)12-11-9;1-6-3-4-7(12-2)5-8(6)9(10)11;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h3-7H,1-2H3;2*2-6H,1H3;2-6H,1H3,(H2,13,14,15);2-5H,6H2,1H3,(H,12,13);3-5H,1-2H3,(H2,10,11);4*2-4H,5,10H2,1H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3.
What are the key properties of 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine has a molecular weight of 3833.45 g/mol, XLogP of 46.99, 17 rotatable bonds, 17 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 162058468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).