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Ligand Download |
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| 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 | ||