Chemical ID: 6190680

c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)C(=O)O
Chemical ID:
6190680
Name [?]:
4-[[2-(4-hydroxyphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]benzoic acid
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)C(=O)O
InChi [?]:
InChI=1/C17H12N2O4S/c20-13-7-5-12(6-8-13)18-17-19-15(21)14(24-17)9-10-1-3-11(4-2-10)16(22)23/h1-9,20H,(H,22,23)(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,19,16,18,7,6,3,14,17,8,9,22,12,13,11,20,10,23,24,21/E:(1,2)(3,4)(5,6)(7,8)(22,23)/rA:24nCCCCCCCCCONCNCCCCCCOSCOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2O4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.67101
Area:535.989
Solvation:-3.7287
Coulombic:-72.039
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:340.354
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.3
LogP (Chemaxon):2.86

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Descriptor Annotations

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