LigandBoxID:D00272

NAME:Chlortalidone;Chlorthalidone;Hygroton;Thalitone
SMILES: NS(c1cc(C3(NC(c2ccccc32)=O)O)ccc1[Cl])(=O)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00272

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H11N2O4SCl 338.770 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -1.4233 -10.6066
LOGS LOGP    
-4.7242 2.0756    

Links to the same SMILES compounds

LIGANDBOX HTS1610-00129025 HTS1610-00129026 KSH2016-01716439
ZINC ZINC00020253 ZINC00057255


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