LigandBoxID:D04223

NAME:Fluparoxan hydrochloride
SMILES: N1Cc2oc3cccc(c3oc2C1)F

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04223

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H11NO2F 196.201 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 2 -4.6476 -12.6175
LOGS LOGP    
-4.2194 1.4389    

Links to the same SMILES compounds

CHEMBL CHEMBL1765294
PUBCHEM 10219795 172310 172311 23724909 53462934
72036 9794625


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