LigandBoxID:D00645

NAME:Bretylium tosylate;Bretylium tosilate;Bretylol
SMILES: CCN(Cc1ccccc1[Br])(C)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00645

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C11H17NBr 243.168 1 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -4.0335 -13.1681
LOGS LOGP    
-0.1725 0.2382    

Links to the same SMILES compounds

LIGANDBOX C06855
CHEMBL CHEMBL1095292 CHEMBL1199080 CHEMBL1895543
ZINC ZINC00001041
PUBCHEM 18499 2431 414642 54708278 6100


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