|
Ligand Download |
||
 | ||
| Ligand Name: (1-methylpiperidin-4-yl) 3-fluoranylbenzoate | ||
| HET ID: S2V | PubChem: 714836 | |
| DrugBank: - | ChEMBL: CHEMBL37159 | |
| Canonical SMILES: CN1CCC(CC1)OC(=O)c1cccc(c1)F | ||
| Standard InChI: InChI=1S/C13H16FNO2/c1-15-7-5-12(6-8-15)17-13(16)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3 | ||
| Molecular Formula: C13H16FNO2 | Mol. Weight: 237.27005 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 2.0146 |
| HBD: 0 | HBA: 3 | TPSA: 29.54 |
| #Bonds: 18 | #Rotatable Bonds: 3 | Shape Complexity: 0.46153846 |
| Stereocomplexity: 0.0 | ||