LigandBoxID:D00694

NAME:Clorazepate dipotassium;Tranxene
SMILES: OC(C2N=C(c3cc(ccc3NC2=O)[Cl])c1ccccc1)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00694

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H10N2O3Cl 313.720 -1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 2.3599 -4.9921
LOGS LOGP    
-0.4692 1.7753    

Links to the same SMILES compounds

LIGANDBOX C06921 D03562
CHEMBL CHEMBL252714 CHEMBL399490
ZINC ZINC00896485 ZINC00896487
PUBCHEM 167305 23691043 23706210 25199581 2809
36142238 36142239 36142246 36142247 42126 46224572
5281076


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