Ligand |
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| Ligand Name: N-benzyl-N,N-diethylethanaminium | ||
| HET ID: BTM | PubChem: 17208 | |
| DrugBank: - | ChEMBL: CHEMBL1231492 | |
| Canonical SMILES: CC[N+](Cc1ccccc1)(CC)CC | ||
| Standard InChI: InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1 | ||
| Molecular Formula: C13H22N+ | Mol. Weight: 192.32048 | Heavy Atoms: 14 |
| Charge: 1 | Is Chiral: False | logP: 3.0631 |
| HBD: 0 | HBA: 0 | TPSA: 0.0 |
| #Bonds: 14 | #Rotatable Bonds: 5 | Shape Complexity: 0.53846157 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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