Chemical ID: 4767174

COc1ccc(cc1)S(=O)c2ccccc2C(=O)O
Chemical ID:
4767174
Name [?]:
2-(4-methoxyphenyl)sulfinylbenzoic acid
SMILES [?]:
COc1ccc(cc1)S(=O)c2ccccc2C(=O)O
InChi [?]:
InChI=1/C14H12O4S/c1-18-10-6-8-11(9-7-10)19(17)13-5-3-2-4-12(13)14(15)16/h2-9H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,4,8,5,7,3,6,16,11,17,18,19,10,2,9/E:(6,7)(8,9)(15,16)/rA:19cCOCCCCCCSOCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.41737
Area:434.283
Solvation:-3.43971
Coulombic:-40.8018
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.309
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.72
LogP (Chemaxon):1.85

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