 |
| Ligand Name:
(1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
| HET ID: QGH |
PubChem:
442025
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: C[C@H]1NCCc2c1[nH]c1c2cccc1 |
| Standard InChI: InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1 |
| Molecular Formula: C12H14N2 |
Mol. Weight: 186.25296 |
Heavy Atoms: 14 |
| Charge: 0 |
Is Chiral: True |
logP: 2.7034 |
| HBD: 2 |
HBA: 1 |
TPSA: 27.82 |
| #Bonds: 18 |
#Rotatable Bonds: 0 |
Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.083333336 |
Ligand Type: Small Molecule |