Chemical ID: 5432418

c1cc(cc(c1)O)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(=O)O
Chemical ID:
5432418
Name [?]:
3-[5-[(3-hydroxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid
SMILES [?]:
c1cc(cc(c1)O)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(=O)O
InChi [?]:
InChI=1/C17H11NO4S2/c19-13-6-1-3-10(7-13)8-14-15(20)18(17(23)24-14)12-5-2-4-11(9-12)16(21)22/h1-9,19H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,2,19,17,6,4,8,21,3,20,16,5,9,10,22,13,12,7,11,23,24,14,15/E:(21,22)/rA:24nCCCCCCOCCCONCSSCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11NO4S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1921
Area:540.605
Solvation:-3.32298
Coulombic:-62.8054
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:357.406
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.6
LogP (Chemaxon):3.72

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