LigandBoxID:D00872

SMILES: CCN1N=C(C(c3cc2ococ2cc31)=O)C(=O)O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00872

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H9N2O5 261.213 -1 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 2.3049 -4.8523
LOGS LOGP    
-1.7020 1.0598    

Links to the same SMILES compounds

LIGANDBOX C08052 HTS1306-00117175
CHEMBL CHEMBL1208
ZINC ZINC00032350
PUBCHEM 2762 46865291 46865292 46865397 6919467


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