 |
| 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 |
Ligand Type: Small Molecule |