 |
| Ligand Name:
2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid |
| HET ID: 5V0 |
PubChem:
73670714
|
| DrugBank: - |
ChEMBL: CHEMBL3775994 |
| Canonical SMILES: OC(=O)c1ccnc(c1)CNCc1ccco1 |
| Standard InChI: InChI=1S/C12H12N2O3/c15-12(16)9-3-4-14-10(6-9)7-13-8-11-2-1-5-17-11/h1-6,13H,7-8H2,(H,15,16) |
| Molecular Formula: C12H12N2O3 |
Mol. Weight: 232.23528 |
Heavy Atoms: 17 |
| Charge: 0 |
Is Chiral: False |
logP: 2.0535 |
| HBD: 2 |
HBA: 5 |
TPSA: 75.36 |
| #Bonds: 18 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.16666667 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |