Chemical ID: 7143410

c1ccc2c(c1)C(=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O)C(=O)N2
Chemical ID:
7143410
Name [?]:
2-[4-oxo-5-(2-oxoindolin-3-ylidene)-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc2c(c1)C(=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O)C(=O)N2
InChi [?]:
InChI=1/C18H11N3O4S/c22-15-13(9-5-1-3-7-11(9)19-15)14-16(23)21-18(26-14)20-12-8-4-2-6-10(12)17(24)25/h1-8H,(H,19,22)(H,24,25)(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,6,19,3,16,5,20,4,15,7,8,24,9,21,12,26,14,11,25,10,22,23,13/E:(24,25)/rA:26nCCCCCCCCCONCSNCCCCCCCOOCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;d11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s7;d24;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11N3O4S
All Atoms:37
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5397
Area:539.653
Solvation:-2.95164
Coulombic:-77.757
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:365.364
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.48
LogP (Chemaxon):3.25

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