Chemical ID: 5206745

c1ccc(c(c1)C(=O)O)Sc2ccccc2C(=O)O
Chemical ID:
5206745
Name [?]:
2-(2-carboxyphenyl)sulfanylbenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)Sc2ccccc2C(=O)O
InChi [?]:
InChI=1/C14H10O4S/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,2,13,6,15,3,12,5,16,4,11,7,17,8,9,18,19,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18)/gE:(1,2)/rA:19nCCCCCCCOOSCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10O4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.70666
Area:427.075
Solvation:-2.97023
Coulombic:-57.0102
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.293
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.45
LogP (Chemaxon):3.59

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