 |
| Ligand Name:
3-[(2S)-pyrrolidin-2-ylethynyl]pyridine |
| HET ID: TI9 |
PubChem:
9942265
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: C1CN[C@@H](C1)C#Cc1cccnc1 |
| Standard InChI: InChI=1S/C11H12N2/c1-3-10(9-12-7-1)5-6-11-4-2-8-13-11/h1,3,7,9,11,13H,2,4,8H2/t11-/m0/s1 |
| Molecular Formula: C11H12N2 |
Mol. Weight: 172.22638 |
Heavy Atoms: 13 |
| Charge: 0 |
Is Chiral: True |
logP: 1.5139 |
| HBD: 1 |
HBA: 2 |
TPSA: 24.92 |
| #Bonds: 15 |
#Rotatable Bonds: 0 |
Shape Complexity: 0.44444445 |
| Stereocomplexity: 0.09090909 |
Ligand Type: Small Molecule |