|
Ligand Download |
||
 | ||
| Ligand Name: 3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid | ||
| HET ID: QC1 | PubChem: 81750967 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Fc1ccc(cc1)CNc1cnccc1C(=O)O | ||
| Standard InChI: InChI=1S/C13H11FN2O2/c14-10-3-1-9(2-4-10)7-16-12-8-15-6-5-11(12)13(17)18/h1-6,8,16H,7H2,(H,17,18) | ||
| Molecular Formula: C13H11FN2O2 | Mol. Weight: 246.23705 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 2.604 |
| HBD: 2 | HBA: 4 | TPSA: 62.22 |
| #Bonds: 19 | #Rotatable Bonds: 4 | Shape Complexity: 0.07692308 |
| Stereocomplexity: 0.0 | ||