LigandBoxID:D00699

NAME:Butabarbital sodium;Secbutabarbital sodium;Butabarb
SMILES: CCC(C1(C(NC(=NC1=O)O)=O)CC)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00699

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C10H15N2O3 211.241 -1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 2 4.1509 -4.7075
LOGS LOGP    
-1.0580 0.8343    

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