 |
| Ligand Name:
4-(benzimidazol-1-ylmethyl)benzenecarbonitrile |
| HET ID: RYM |
PubChem:
863558
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: N#Cc1ccc(cc1)Cn1cnc2c1cccc2 |
| Standard InChI: InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2 |
| Molecular Formula: C15H11N3 |
Mol. Weight: 233.26794 |
Heavy Atoms: 18 |
| Charge: 0 |
Is Chiral: False |
logP: 2.95628 |
| HBD: 0 |
HBA: 3 |
TPSA: 41.61 |
| #Bonds: 20 |
#Rotatable Bonds: 2 |
Shape Complexity: 0.071428575 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |