LigandBoxID:D01230

NAME:Flunitrazepam;Rohypnol
SMILES: ON(c1ccc3N(C(CN=C(c3c1)c2ccccc2F)=O)C)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01230

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H12N3O3F 313.288 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -1.9390 -9.6982
LOGS LOGP    
-4.7854 3.0489    

Links to the same SMILES compounds

CHEMBL CHEMBL13280
ZINC ZINC03812994
PUBCHEM 3380 450826


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