Chemical ID: 4103944

c1cc(cc(c1)NC2=NC(=O)C(=Cc3ccncc3)S2)C(=O)O
Chemical ID:
4103944
Name [?]:
3-[4-oxo-5-(4-pyridylmethylene)thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1cc(cc(c1)NC2=NC(=O)C(=Cc3ccncc3)S2)C(=O)O
InChi [?]:
InChI=1/C16H11N3O3S/c20-14-13(8-10-4-6-17-7-5-10)23-16(19-14)18-12-3-1-2-11(9-12)15(21)22/h1-9H,(H,21,22)(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,19,16,18,13,4,14,3,5,12,10,21,8,17,7,9,11,22,23,20/E:(4,5)(6,7)(21,22)/rA:23nCCCCCCNCNCOCCCCCNCCSCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s8s12;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N3O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.12334
Area:507.901
Solvation:-3.57419
Coulombic:-60.1212
Bond Count [?]
All:25
Single:15
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:325.343
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.72
LogP (Chemaxon):1.43

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Descriptor Annotations

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