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Ligand Download |
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| 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 | ||