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Ligand Download |
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| Ligand Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane | ||
| HET ID: A5K | PubChem: 735734 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Clc1cc(cnc1N1CCNCCC1)C(F)(F)F | ||
| Standard InChI: InChI=1S/C11H13ClF3N3/c12-9-6-8(11(13,14)15)7-17-10(9)18-4-1-2-16-3-5-18/h6-7,16H,1-5H2 | ||
| Molecular Formula: C11H13ClF3N3 | Mol. Weight: 279.68924 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 2.9473 |
| HBD: 1 | HBA: 3 | TPSA: 28.16 |
| #Bonds: 19 | #Rotatable Bonds: 2 | Shape Complexity: 0.54545456 |
| Stereocomplexity: 0.0 | ||