 |
| Ligand Name:
(2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine |
| HET ID: P0Q |
PubChem:
51349454
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: C[C@H]1NC(C)(C)CO[C@@H]1c1cccc(c1)Cl |
| Standard InChI: InChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3/t9-,12+/m1/s1 |
| Molecular Formula: C13H18ClNO |
Mol. Weight: 239.74112 |
Heavy Atoms: 16 |
| Charge: 0 |
Is Chiral: True |
logP: 3.4968 |
| HBD: 1 |
HBA: 2 |
TPSA: 21.26 |
| #Bonds: 19 |
#Rotatable Bonds: 1 |
Shape Complexity: 0.53846157 |
| Stereocomplexity: 0.15384616 |
Ligand Type: Small Molecule |