 |
| Ligand Name:
4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine |
| HET ID: 36X |
PubChem:
904112
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: N=c1c2CCCc2n(c2c1CCC2)C |
| Standard InChI: InChI=1S/C12H16N2/c1-14-10-6-2-4-8(10)12(13)9-5-3-7-11(9)14/h13H,2-7H2,1H3 |
| Molecular Formula: C12H16N2 |
Mol. Weight: 188.26884 |
Heavy Atoms: 14 |
| Charge: 0 |
Is Chiral: False |
logP: 1.5817 |
| HBD: 1 |
HBA: 2 |
TPSA: 28.78 |
| #Bonds: 16 |
#Rotatable Bonds: 0 |
Shape Complexity: 0.5833333 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |