 |
| Ligand Name:
(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole |
| HET ID: 9UL |
PubChem:
134110739,
12932187
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CN1CCC/C/1=C/1C=Nc2c1cccc2 |
| Standard InChI: InChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11- |
| Molecular Formula: C13H14N2 |
Mol. Weight: 198.26366 |
Heavy Atoms: 15 |
| Charge: 0 |
Is Chiral: False |
logP: 2.2127 |
| HBD: 0 |
HBA: 2 |
TPSA: 15.6 |
| #Bonds: 17 |
#Rotatable Bonds: 0 |
Shape Complexity: 0.30769232 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |