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Ligand Download |
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| 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 | ||