LigandBoxID:D01245

NAME:Bromazepam;Lectopam
SMILES: O=C1CN=C(c3cc(ccc3N1)[Br])c2ccccn2

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01245

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H10N3OBr 316.158 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -1.0110 -9.3634
LOGS LOGP    
-3.3098 2.2204    

Links to the same SMILES compounds

CHEMBL CHEMBL277062
ZINC ZINC00001051
PUBCHEM 2441 3455249 3748771 4519001 498960
50910380 50919572 5133391 6101468


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