LigandBoxID:D01898

NAME:Haloperidol decanoate;Halomonth
SMILES: CCCCCCCCCC(OC3(c2ccc(cc2)[Cl])CCN(CC3)CCCC(c1ccc(cc1)F)=O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01898

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C31H42NO3FCl 531.132 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -3.9881 -12.2519
LOGS LOGP    
-9.2589 6.7045    

Links to the same SMILES compounds

CHEMBL CHEMBL1200986
PUBCHEM 16205392 52919


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