Chemical ID: 7143338

c1ccc(cc1)C=CC=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
Chemical ID:
7143338
Name [?]:
2-(5-cinnamylidene-4-oxo-thiazol-2-yl)aminobenzoic acid
SMILES [?]:
c1ccc(cc1)C=CC=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C19H14N2O3S/c22-17-16(12-6-9-13-7-2-1-3-8-13)25-19(21-17)20-15-11-5-4-10-14(15)18(23)24/h1-12H,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,19,8,3,5,7,21,18,9,4,22,17,10,11,23,14,16,13,12,24,25,15/E:(2,3)(7,8)(23,24)/rA:25nCCCCCCCCCCCONCSNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O3S
All Atoms:39
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:11.852
Area:573.715
Solvation:-2.49084
Coulombic:-59.6023
Bond Count [?]
All:27
Single:16
Double:11
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.1
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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