LigandBoxID:D00439

NAME:Nitrofurantoin;Furadantin
SMILES: ON(c1ccc(o1)C=NN2CC(NC2=O)=O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00439

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H6N4O5 238.159 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 -2.2677 -10.0150
LOGS LOGP    
-2.6877 0.9472    

Links to the same SMILES compounds

LIGANDBOX C07268 HTS1610-00156415 KSH2016-00480643
ZINC ZINC03875368 ZINC07997568


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