5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide

C133H150N8O44S10 — CID 160802261

IUPAC5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide
SMILESCC(=O)c1cc(C)cc2c1CCN(C)C2.CC(=O)c1cc(S(=O)(=O)O)c2cc(C(C)=O)cc(S(=O)(=O)O)c2c1.CC(=O)c1cc(S(=O)(=O)O)c2cc(C(C)=O)cc(S(=O)(=O)O)c2c1.CC(=O)c1cc2c(c(S(=O)(=O)O)c1)CCN(C)C2.CC(=O)c1cc2c(c(S(=O)(=O)O)c1)CN(C)C2.CC(=O)c1cc2c(c(S(=O)(=O)O)c1)CN(C)CC2.CC(=O)c1ccc(C(C)=O)c2c(S(=O)(=O)O)cccc12.CC(=O)c1ccc2c(c1)CCN(C)C2.CC(=O)c1ccc2c(c1)CN(C)C2.CNCc1ccc(C(C)=O)cc1.CNCc1ccc(C(C)=O)cc1S(=O)(=O)O.O=S(=O)=O
InChIInChI=1S/2C14H12O8S2.C14H12O5S.C13H17NO.2C12H15NO4S.C12H15NO.C11H13NO4S.C11H13NO.C10H13NO4S.C10H13NO.O3S/c2*1-7(15)9-3-11-12(13(5-9)23(17,18)19)4-10(8(2)16)6-14(11)24(20,21)22;1-8(15)10-6-7-11(9(2)16)14-12(10)4-3-5-13(14)20(17,18)19;1-9-6-11-8-14(3)5-4-12(11)13(7-9)10(2)15;1-8(14)9-5-10-7-13(2)4-3-11(10)12(6-9)18(15,16)17;1-8(14)10-5-9-3-4-13(2)7-11(9)12(6-10)18(15,16)17;1-9(14)10-3-4-12-8-13(2)6-5-11(12)7-10;1-7(13)8-3-9-5-12(2)6-10(9)11(4-8)17(14,15)16;1-8(13)9-3-4-10-6-12(2)7-11(10)5-9;1-7(12)8-3-4-9(6-11-2)10(5-8)16(13,14)15;1-8(12)10-5-3-9(4-6-10)7-11-2;1-4(2)3/h2*3-6H,1-2H3,(H,17,18,19)(H,20,21,22);3-7H,1-2H3,(H,17,18,19);6-7H,4-5,8H2,1-3H3;2*5-6H,3-4,7H2,1-2H3,(H,15,16,17);3-4,7H,5-6,8H2,1-2H3;3-4H,5-6H2,1-2H3,(H,14,15,16);3-5H,6-7H2,1-2H3;3-5,11H,6H2,1-2H3,(H,13,14,15);3-6,11H,7H2,1-2H3;
InChIKeySDFUCLBKDFZLNH-UHFFFAOYSA-N
MW2885.34 g/mol
LogP16.65
Rot. Bonds27

About 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide

5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide (PubChem CID 160802261) has the molecular formula C133H150N8O44S10 and a molecular weight of 2885.34 g/mol. Its IUPAC name is 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide.

Molecular Properties

Compound Name5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide
PubChem CID160802261
Molecular FormulaC133H150N8O44S10
Molecular Weight2885.34 g/mol
Exact Mass2882.70
IUPAC Name5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide
SMILESCC(=O)c1cc(C)cc2c1CCN(C)C2.CC(=O)c1cc(S(=O)(=O)O)c2cc(C(C)=O)cc(S(=O)(=O)O)c2c1.CC(=O)c1cc(S(=O)(=O)O)c2cc(C(C)=O)cc(S(=O)(=O)O)c2c1.CC(=O)c1cc2c(c(S(=O)(=O)O)c1)CCN(C)C2.CC(=O)c1cc2c(c(S(=O)(=O)O)c1)CN(C)C2.CC(=O)c1cc2c(c(S(=O)(=O)O)c1)CN(C)CC2.CC(=O)c1ccc(C(C)=O)c2c(S(=O)(=O)O)cccc12.CC(=O)c1ccc2c(c1)CCN(C)C2.CC(=O)c1ccc2c(c1)CN(C)C2.CNCc1ccc(C(C)=O)cc1.CNCc1ccc(C(C)=O)cc1S(=O)(=O)O.O=S(=O)=O
InChIInChI=1S/2C14H12O8S2.C14H12O5S.C13H17NO.2C12H15NO4S.C12H15NO.C11H13NO4S.C11H13NO.C10H13NO4S.C10H13NO.O3S/c2*1-7(15)9-3-11-12(13(5-9)23(17,18)19)4-10(8(2)16)6-14(11)24(20,21)22;1-8(15)10-6-7-11(9(2)16)14-12(10)4-3-5-13(14)20(17,18)19;1-9-6-11-8-14(3)5-4-12(11)13(7-9)10(2)15;1-8(14)9-5-10-7-13(2)4-3-11(10)12(6-9)18(15,16)17;1-8(14)10-5-9-3-4-13(2)7-11(9)12(6-10)18(15,16)17;1-9(14)10-3-4-12-8-13(2)6-5-11(12)7-10;1-7(13)8-3-9-5-12(2)6-10(9)11(4-8)17(14,15)16;1-8(13)9-3-4-10-6-12(2)7-11(10)5-9;1-7(12)8-3-4-9(6-11-2)10(5-8)16(13,14)15;1-8(12)10-5-3-9(4-6-10)7-11-2;1-4(2)3/h2*3-6H,1-2H3,(H,17,18,19)(H,20,21,22);3-7H,1-2H3,(H,17,18,19);6-7H,4-5,8H2,1-3H3;2*5-6H,3-4,7H2,1-2H3,(H,15,16,17);3-4,7H,5-6,8H2,1-2H3;3-4H,5-6H2,1-2H3,(H,14,15,16);3-5H,6-7H2,1-2H3;3-5,11H,6H2,1-2H3,(H,13,14,15);3-6,11H,7H2,1-2H3;
InChIKeySDFUCLBKDFZLNH-UHFFFAOYSA-N
XLogP16.65
TPSA823.02 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds27
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002885.34
LogP ≤ 516.65
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide with MolForge

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Related Compounds

6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone
CID 145316351
6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid
CID 129149506
3-chloro-4-ethyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide
CID 59190879
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
CID 139894614
2,6-dimethyl-3,4-dihydro-1H-isoquinoline;N-methylnaphthalene-2-carboxamide
CID 178169008
4-acetyl-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]benzonitrile
CID 133455973
8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
CID 170085418
1-(3,6-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanone
CID 118681307
4-methylbenzenesulfonic acid;2-methyl-3,4-dihydro-1H-isoquinoline
CID 86651819
ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline
CID 171517410
3-(2,2-dimethylpropanoyl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;hydrochloride
CID 142644342
4-methoxy-3-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide
CID 59190836

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide?
The IUPAC name of 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide (CID 160802261) is 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide.
What is the SMILES notation for 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide?
The canonical SMILES for 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide is CC(=O)c1cc(C)cc2c1CCN(C)C2.CC(=O)c1cc(S(=O)(=O)O)c2cc(C(C)=O)cc(S(=O)(=O)O)c2c1.CC(=O)c1cc(S(=O)(=O)O)c2cc(C(C)=O)cc(S(=O)(=O)O)c2c1.CC(=O)c1cc2c(c(S(=O)(=O)O)c1)CCN(C)C2.CC(=O)c1cc2c(c(S(=O)(=O)O)c1)CN(C)C2.CC(=O)c1cc2c(c(S(=O)(=O)O)c1)CN(C)CC2.CC(=O)c1ccc(C(C)=O)c2c(S(=O)(=O)O)cccc12.CC(=O)c1ccc2c(c1)CCN(C)C2.CC(=O)c1ccc2c(c1)CN(C)C2.CNCc1ccc(C(C)=O)cc1.CNCc1ccc(C(C)=O)cc1S(=O)(=O)O.O=S(=O)=O.
What is the InChIKey of 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide?
The InChIKey is SDFUCLBKDFZLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12O8S2.C14H12O5S.C13H17NO.2C12H15NO4S.C12H15NO.C11H13NO4S.C11H13NO.C10H13NO4S.C10H13NO.O3S/c2*1-7(15)9-3-11-12(13(5-9)23(17,18)19)4-10(8(2)16)6-14(11)24(20,21)22;1-8(15)10-6-7-11(9(2)16)14-12(10)4-3-5-13(14)20(17,18)19;1-9-6-11-8-14(3)5-4-12(11)13(7-9)10(2)15;1-8(14)9-5-10-7-13(2)4-3-11(10)12(6-9)18(15,16)17;1-8(14)10-5-9-3-4-13(2)7-11(9)12(6-10)18(15,16)17;1-9(14)10-3-4-12-8-13(2)6-5-11(12)7-10;1-7(13)8-3-9-5-12(2)6-10(9)11(4-8)17(14,15)16;1-8(13)9-3-4-10-6-12(2)7-11(10)5-9;1-7(12)8-3-4-9(6-11-2)10(5-8)16(13,14)15;1-8(12)10-5-3-9(4-6-10)7-11-2;1-4(2)3/h2*3-6H,1-2H3,(H,17,18,19)(H,20,21,22);3-7H,1-2H3,(H,17,18,19);6-7H,4-5,8H2,1-3H3;2*5-6H,3-4,7H2,1-2H3,(H,15,16,17);3-4,7H,5-6,8H2,1-2H3;3-4H,5-6H2,1-2H3,(H,14,15,16);3-5H,6-7H2,1-2H3;3-5,11H,6H2,1-2H3,(H,13,14,15);3-6,11H,7H2,1-2H3;.
What are the key properties of 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide?
5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide has a molecular weight of 2885.34 g/mol, XLogP of 16.65, 27 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(methylaminomethyl)benzenesulfonic acid;6-acetyl-2-methyl-1,3-dihydroisoindole-4-sulfonic acid;6-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-8-sulfonic acid;7-acetyl-2-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonic acid;bis(3,7-diacetylnaphthalene-1,5-disulfonic acid);5,8-diacetylnaphthalene-1-sulfonic acid;1-(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone;1-[4-(methylaminomethyl)phenyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanone;sulfur trioxide is sourced from PubChem (CID 160802261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).