1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide

C214H257N18O10S2- — CID 161471733

IUPAC1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
SMILESCC(=O)Nc1ccc(/C=C/C(C)C)cc1.CC(C)/C=C/c1ccc(C#N)cc1.CC(C)/C=C/c1cccc(NS(=O)[O-])c1.CC(C)C(=O)Cc1cccc(-n2ccnc2)c1.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccccc1OCc1ccccc1.CC(C)c1cn(C)c2cc(C#N)ccc12.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(Cc2ccccc2)c1.COc1ccc(/C=C/C(C)C)cc1.Cc1c(C(C)C)oc2ccccc12.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1cccc(/C=C/C(C)C)c1.O=S=O
InChIInChI=1S/C16H18O.C15H16.C14H16N2O.C14H19N.C13H14N2.C13H16N2.C13H17NO.C13H17N.C12H14N2.C12H13N.C12H14O.C12H16O.C12H16.C11H13N3.C11H15NO2S.C11H12O.C10H12N2.O2S/c1-13(2)15-10-6-7-11-16(15)17-12-14-8-4-3-5-9-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)14(17)9-12-4-3-5-13(8-12)16-7-6-15-10-16;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-9(2)12-8-15(3)13-6-10(7-14)4-5-11(12)13;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)4-5-12-6-8-13(9-7-12)14-11(3)15;1-9(2)12-8-14(4)13-7-10(3)5-6-11(12)13;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-10(2)4-5-11-6-8-12(13-3)9-7-11;1-10(2)7-8-12-6-4-5-11(3)9-12;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-9(2)6-7-10-4-3-5-11(8-10)12-15(13)14;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-3-2/h3-11,13H,12H2,1-2H3;3-12H,1-2H3;3-8,10-11H,9H2,1-2H3;5-11H,1-4H3;4-6,8-9H,1-3H3;3-8,10-11H,9H2,1-2H3;4-10H,1-3H3,(H,14,15);5-9H,1-4H3;3-10H,1-2H3;3-8,10H,1-2H3;4-8H,1-3H3;4-10H,1-3H3;4-10H,1-3H3;3-9H,1-2H3;3-9,12H,1-2H3,(H,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);/p-1/b;;;;;;5-4+;;;4-3+;;5-4+;8-7+;;7-6+;;;
InChIKeyIEUBRNIZVUTSEN-AAAJRKKCSA-M
MW3305.66 g/mol
LogP56.65
Rot. Bonds38

About 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide

1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide (PubChem CID 161471733) has the molecular formula C214H257N18O10S2- and a molecular weight of 3305.66 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide.

Molecular Properties

Compound Name1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
PubChem CID161471733
Molecular FormulaC214H257N18O10S2-
Molecular Weight3305.66 g/mol
Exact Mass3302.96
IUPAC Name1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
SMILESCC(=O)Nc1ccc(/C=C/C(C)C)cc1.CC(C)/C=C/c1ccc(C#N)cc1.CC(C)/C=C/c1cccc(NS(=O)[O-])c1.CC(C)C(=O)Cc1cccc(-n2ccnc2)c1.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccccc1OCc1ccccc1.CC(C)c1cn(C)c2cc(C#N)ccc12.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(Cc2ccccc2)c1.COc1ccc(/C=C/C(C)C)cc1.Cc1c(C(C)C)oc2ccccc12.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1cccc(/C=C/C(C)C)c1.O=S=O
InChIInChI=1S/C16H18O.C15H16.C14H16N2O.C14H19N.C13H14N2.C13H16N2.C13H17NO.C13H17N.C12H14N2.C12H13N.C12H14O.C12H16O.C12H16.C11H13N3.C11H15NO2S.C11H12O.C10H12N2.O2S/c1-13(2)15-10-6-7-11-16(15)17-12-14-8-4-3-5-9-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)14(17)9-12-4-3-5-13(8-12)16-7-6-15-10-16;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-9(2)12-8-15(3)13-6-10(7-14)4-5-11(12)13;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)4-5-12-6-8-13(9-7-12)14-11(3)15;1-9(2)12-8-14(4)13-7-10(3)5-6-11(12)13;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-10(2)4-5-11-6-8-12(13-3)9-7-11;1-10(2)7-8-12-6-4-5-11(3)9-12;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-9(2)6-7-10-4-3-5-11(8-10)12-15(13)14;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-3-2/h3-11,13H,12H2,1-2H3;3-12H,1-2H3;3-8,10-11H,9H2,1-2H3;5-11H,1-4H3;4-6,8-9H,1-3H3;3-8,10-11H,9H2,1-2H3;4-10H,1-3H3,(H,14,15);5-9H,1-4H3;3-10H,1-2H3;3-8,10H,1-2H3;4-8H,1-3H3;4-10H,1-3H3;4-10H,1-3H3;3-9H,1-2H3;3-9,12H,1-2H3,(H,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);/p-1/b;;;;;;5-4+;;;4-3+;;5-4+;8-7+;;7-6+;;;
InChIKeyIEUBRNIZVUTSEN-AAAJRKKCSA-M
XLogP56.65
TPSA352.43 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds38
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003305.66
LogP ≤ 556.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide?
The IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide (CID 161471733) is 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide?
The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide is CC(=O)Nc1ccc(/C=C/C(C)C)cc1.CC(C)/C=C/c1ccc(C#N)cc1.CC(C)/C=C/c1cccc(NS(=O)[O-])c1.CC(C)C(=O)Cc1cccc(-n2ccnc2)c1.CC(C)c1cc2ccccc2o1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccccc1OCc1ccccc1.CC(C)c1cn(C)c2cc(C#N)ccc12.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(-c2ccccn2)c1.CC(C)c1cnn(Cc2ccccc2)c1.COc1ccc(/C=C/C(C)C)cc1.Cc1c(C(C)C)oc2ccccc12.Cc1ccc2c(C(C)C)cn(C)c2c1.Cc1cccc(/C=C/C(C)C)c1.O=S=O.
What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide?
The InChIKey is IEUBRNIZVUTSEN-AAAJRKKCSA-M. The full InChI is InChI=1S/C16H18O.C15H16.C14H16N2O.C14H19N.C13H14N2.C13H16N2.C13H17NO.C13H17N.C12H14N2.C12H13N.C12H14O.C12H16O.C12H16.C11H13N3.C11H15NO2S.C11H12O.C10H12N2.O2S/c1-13(2)15-10-6-7-11-16(15)17-12-14-8-4-3-5-9-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)14(17)9-12-4-3-5-13(8-12)16-7-6-15-10-16;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;1-9(2)12-8-15(3)13-6-10(7-14)4-5-11(12)13;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)4-5-12-6-8-13(9-7-12)14-11(3)15;1-9(2)12-8-14(4)13-7-10(3)5-6-11(12)13;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-10(2)3-4-11-5-7-12(9-13)8-6-11;1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-10(2)4-5-11-6-8-12(13-3)9-7-11;1-10(2)7-8-12-6-4-5-11(3)9-12;1-9(2)10-7-13-14(8-10)11-5-3-4-6-12-11;1-9(2)6-7-10-4-3-5-11(8-10)12-15(13)14;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-3-2/h3-11,13H,12H2,1-2H3;3-12H,1-2H3;3-8,10-11H,9H2,1-2H3;5-11H,1-4H3;4-6,8-9H,1-3H3;3-8,10-11H,9H2,1-2H3;4-10H,1-3H3,(H,14,15);5-9H,1-4H3;3-10H,1-2H3;3-8,10H,1-2H3;4-8H,1-3H3;4-10H,1-3H3;4-10H,1-3H3;3-9H,1-2H3;3-9,12H,1-2H3,(H,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);/p-1/b;;;;;;5-4+;;;4-3+;;5-4+;8-7+;;7-6+;;;.
What are the key properties of 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide?
1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide has a molecular weight of 3305.66 g/mol, XLogP of 56.65, 38 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;1-(3-imidazol-1-ylphenyl)-3-methylbutan-2-one;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;4-[(E)-3-methylbut-1-enyl]benzonitrile;N-[4-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-[(E)-3-methylbut-1-enyl]-3-(sulfinatoamino)benzene;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;3-methyl-2-propan-2-yl-1-benzofuran;1-methyl-3-propan-2-ylindole-6-carbonitrile;1-phenylmethoxy-2-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;2-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide is sourced from PubChem (CID 161471733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).