LigandBoxID:D00387

NAME:Triazolam;Halcion
SMILES: [Cl]c1ccc4N3C(NNC3CN=C(c4c1)c2ccccc2[Cl])C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00387

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H12N4Cl2 343.217 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -1.2506 -9.5275
LOGS LOGP    
-4.7852 5.1629    

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