 |
| 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 |
Ligand Type: Small Molecule |