Chemical ID: 7143182

c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=CC=Cc3ccco3)S2
Chemical ID:
7143182
Name [?]:
2-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=CC=Cc3ccco3)S2
InChi [?]:
InChI=1/C17H12N2O4S/c20-15-14(9-3-5-11-6-4-10-23-11)24-17(19-15)18-13-8-2-1-7-12(13)16(21)22/h1-10H,(H,21,22)(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,17,21,18,20,6,3,16,22,19,5,4,15,13,7,11,10,12,14,8,9,23,24/E:(21,22)/rA:24nCCCCCCCOONCNCOCCCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;w17;s18;d19;s20;d21;s19s22;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2O4S
All Atoms:36
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.0303
Area:548.163
Solvation:-3.67382
Coulombic:-64.0605
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.58
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue