LigandBoxID:D01444

NAME:Bunitrolol hydrochloride;Betrilol
SMILES: N#Cc1ccccc1OCC(CNC(C)(C)C)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01444

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H21N2O2 249.334 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -3.9802 -12.7612
LOGS LOGP    
-2.6315 2.3512    

Links to the same SMILES compounds

CHEMBL CHEMBL418134
PUBCHEM 13477019 2473 31641


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