Chemical ID: 7143385

c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3cccnc3)S2
Chemical ID:
7143385
Name [?]:
2-[4-oxo-5-(3-pyridylmethylene)thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3cccnc3)S2
InChi [?]:
InChI=1/C16H11N3O3S/c20-14-13(8-10-4-3-7-17-9-10)23-16(19-14)18-12-6-2-1-5-11(12)15(21)22/h1-9H,(H,21,22)(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,6,3,20,16,22,17,5,4,15,13,7,11,21,10,12,14,8,9,23/E:(21,22)/rA:23nCCCCCCCOONCNCOCCCCCCNCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N3O3S
All Atoms:34
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.7756
Area:512.371
Solvation:-3.03368
Coulombic:-61.4012
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:2.36
LogP (Chemaxon):1.91

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