 |
| Ligand Name:
1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine |
| HET ID: QTH |
PubChem:
154584335
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: c1ccc(cc1)c1ccc(cc1)C[n+]1ccc(cc1)N1CCCC1 |
| Standard InChI: InChI=1S/C22H23N2/c1-2-6-20(7-3-1)21-10-8-19(9-11-21)18-23-16-12-22(13-17-23)24-14-4-5-15-24/h1-3,6-13,16-17H,4-5,14-15,18H2/q+1 |
| Molecular Formula: C22H23N2+ |
Mol. Weight: 315.43143 |
Heavy Atoms: 24 |
| Charge: 1 |
Is Chiral: False |
logP: 4.3546 |
| HBD: 0 |
HBA: 1 |
TPSA: 7.12 |
| #Bonds: 27 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.22727273 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |