Oxycodone
Representations & DB's id
| ||
| ChEBI: | CHEBI:7852 | |
|---|---|---|
| ChEMBL: | CHEMBL656 | |
| PubChem: | 5284603 | |
| IUPAC: | (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one | |
| Standard InChI: | InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 | |
| Standard InChI Key: | BRUQQQPBMZOVGD-XFKAJCMBSA-N | |
| SMILES: | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)CCC1=O)C | |
Molecular propeties
| ||
| AlogP: | 1.05 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 315.15 | |
| Topological polar surface area: | 59 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.611 | |
| Number of carbons: | 18 | |