LigandBoxID:D08487

NAME:Romifidine;Sedivet
SMILES: Fc1cccc(c1NC2=NCCN2)[Br]

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08487

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C9H9N3FBr 258.094 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -0.3578 -8.6879
LOGS LOGP    
-3.4384 2.8945    

Links to the same SMILES compounds

LIGANDBOX HTS1610-00269585 HTS1610-00269586
PUBCHEM 20226420 71969


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