 |
| Ligand Name:
N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine |
| HET ID: QLW |
PubChem:
72699172
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CN(c1cc[n+](cc1)Cc1ccc(cc1)CCc1ccccc1)C |
| Standard InChI: InChI=1S/C22H25N2/c1-23(2)22-14-16-24(17-15-22)18-21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-7,10-17H,8-9,18H2,1-2H3/q+1 |
| Molecular Formula: C22H25N2+ |
Mol. Weight: 317.4473 |
Heavy Atoms: 24 |
| Charge: 1 |
Is Chiral: False |
logP: 3.8736 |
| HBD: 0 |
HBA: 1 |
TPSA: 7.12 |
| #Bonds: 26 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.22727273 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |