 |
| Ligand Name:
2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid |
| HET ID: JMS |
PubChem:
4037
|
| DrugBank: DB00939 |
ChEMBL: CHEMBL509 |
| Canonical SMILES: OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C |
| Standard InChI: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19) |
| Molecular Formula: C14H11Cl2NO2 |
Mol. Weight: 296.14865 |
Heavy Atoms: 19 |
| Charge: 0 |
Is Chiral: False |
logP: 4.8166 |
| HBD: 2 |
HBA: 2 |
TPSA: 49.33 |
| #Bonds: 20 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.071428575 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |