2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene

C210H183BrCl22N10O3S13 — CID 158935547

IUPAC2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene
SMILESC/C=C/c1ccc(Cl)s1.CCCc1ccc(Cl)s1.COc1ccc(C)cc1Cl.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)s1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2ccccc2c1.Cc1ccc2oc(C)cc2c1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1.Cc1sc2cc(Cl)ccc2c1C
InChIInChI=1S/C11H9Br.2C11H9Cl.C11H10.C10H10ClN.C10H9ClS.C10H10O.2C9H8ClN.C9H7ClO.C9H7ClS2.2C9H7ClS.C8H7ClN2.5C8H6ClNS.C8H9ClO.C7H6Cl2.C7H9ClS.C7H7ClS.C5H5ClS/c2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5;2*1-2-3-6-4-5-7(8)9-6;1-4-2-3-5(6)7-4/h3*2-7H,1H3;2-8H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;2*2-5H,1H3;2-4H,1H3,(H,10,11);5*2-4H,1H3;3-5H,1-2H3;2-4H,1H3;4-5H,2-3H2,1H3;2-5H,1H3;2-3H,1H3/b;;;;;;;;;;;;;;;;;;;;;;3-2+;
InChIKeyJJPGPOOCGWKZSB-AGWMVLEQSA-N
MW4171.58 g/mol
LogP81.41
Rot. Bonds5

About 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene

2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene (PubChem CID 158935547) has the molecular formula C210H183BrCl22N10O3S13 and a molecular weight of 4171.58 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene.

Molecular Properties

Compound Name2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene
PubChem CID158935547
Molecular FormulaC210H183BrCl22N10O3S13
Molecular Weight4171.58 g/mol
Exact Mass4156.32
IUPAC Name2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene
SMILESC/C=C/c1ccc(Cl)s1.CCCc1ccc(Cl)s1.COc1ccc(C)cc1Cl.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)s1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2ccccc2c1.Cc1ccc2oc(C)cc2c1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1.Cc1sc2cc(Cl)ccc2c1C
InChIInChI=1S/C11H9Br.2C11H9Cl.C11H10.C10H10ClN.C10H9ClS.C10H10O.2C9H8ClN.C9H7ClO.C9H7ClS2.2C9H7ClS.C8H7ClN2.5C8H6ClNS.C8H9ClO.C7H6Cl2.C7H9ClS.C7H7ClS.C5H5ClS/c2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5;2*1-2-3-6-4-5-7(8)9-6;1-4-2-3-5(6)7-4/h3*2-7H,1H3;2-8H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;2*2-5H,1H3;2-4H,1H3,(H,10,11);5*2-4H,1H3;3-5H,1-2H3;2-4H,1H3;4-5H,2-3H2,1H3;2-5H,1H3;2-3H,1H3/b;;;;;;;;;;;;;;;;;;;;;;3-2+;
InChIKeyJJPGPOOCGWKZSB-AGWMVLEQSA-N
XLogP81.41
TPSA176.01 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds5
Heavy Atoms259
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004171.58
LogP ≤ 581.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene?
The IUPAC name of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene (CID 158935547) is 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene.
What is the SMILES notation for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene?
The canonical SMILES for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene is C/C=C/c1ccc(Cl)s1.CCCc1ccc(Cl)s1.COc1ccc(C)cc1Cl.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc(Cl)s1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2ccccc2c1.Cc1ccc2oc(C)cc2c1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1.Cc1sc2cc(Cl)ccc2c1C.
What is the InChIKey of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene?
The InChIKey is JJPGPOOCGWKZSB-AGWMVLEQSA-N. The full InChI is InChI=1S/C11H9Br.2C11H9Cl.C11H10.C10H10ClN.C10H9ClS.C10H10O.2C9H8ClN.C9H7ClO.C9H7ClS2.2C9H7ClS.C8H7ClN2.5C8H6ClNS.C8H9ClO.C7H6Cl2.C7H9ClS.C7H7ClS.C5H5ClS/c2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5;2*1-2-3-6-4-5-7(8)9-6;1-4-2-3-5(6)7-4/h3*2-7H,1H3;2-8H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;2*2-5H,1H3;2-4H,1H3,(H,10,11);5*2-4H,1H3;3-5H,1-2H3;2-4H,1H3;4-5H,2-3H2,1H3;2-5H,1H3;2-3H,1H3/b;;;;;;;;;;;;;;;;;;;;;;3-2+;.
What are the key properties of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene?
2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene has a molecular weight of 4171.58 g/mol, XLogP of 81.41, 5 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2-chloro-5-[(E)-prop-1-enyl]thiophene;2-chloro-5-propylthiophene;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2-methylnaphthalene is sourced from PubChem (CID 158935547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).