Chemical ID: 6211925

C1=CC2=C(C=NC3=C(SC(=C1)N23)C=O)C=O
Chemical ID:
6211925
Name [?]:
None
SMILES [?]:
C1=CC2=C(C=NC3=C(SC(=C1)N23)C=O)C=O
InChi [?]:
InChI=1/C11H6N2O2S/c14-5-7-4-12-11-9(6-15)16-10-3-1-2-8(7)13(10)11/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,11,5,15,13,4,3,8,10,7,6,12,16,14,9/rA:16nCCCCCNCCSCCNCOCO/rB:d1;s2;d3;s4;d5;s6;d7;s8;s9;s1d10;s3s7s10;s8;d13;s4;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6N2O2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.77737
Area:380.512
Solvation:-3.73543
Coulombic:-24.708
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:230.244
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.53
LogP (Chemaxon):0.04

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