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Chemical ID: 7143410
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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