Chemical ID: 7143322

c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3cccc(c3)[N+](=O)[O-])S2
Chemical ID:
7143322
Name [?]:
2-[5-[(3-nitrophenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3cccc(c3)[N+](=O)[O-])S2
InChi [?]:
InChI=1/C17H11N3O5S/c21-15-14(9-10-4-3-5-11(8-10)20(24)25)26-17(19-15)18-13-7-2-1-6-12(13)16(22)23/h1-9H,(H,22,23)(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,6,3,22,16,17,21,5,4,15,13,7,11,10,12,23,14,8,9,24,25,26/E:(22,23)(24,25)/CRV:20.5/rA:26nCCCCCCCOONCNCOCCCCCCCCN+OO-S/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11N3O5S
All Atoms:37
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:5.8255
Area:552.027
Solvation:-7.97517
Coulombic:-68.9401
Bond Count [?]
All:28
Single:17
Double:11
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.38
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