LigandBoxID:D00338

NAME:Halazepam;Paxipam
SMILES: [Cl]c2ccc3N(CC(F)(F)F)C(CN=C(c3c2)c1ccccc1)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00338

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H12N2OF3Cl 352.743 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -1.0800 -9.4812
LOGS LOGP    
-5.2392 4.1014    

Links to the same SMILES compounds

CHEMBL CHEMBL970
ZINC ZINC00537811
PUBCHEM 31640


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