Codeinone
Representations & DB's id
| ||
| ChEBI: | CHEBI:18399 | |
|---|---|---|
| ChEMBL: | CHEMBL257627 | |
| PubChem: | 5459910 | |
| IUPAC: | (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one | |
| Standard InChI: | InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1 | |
| Standard InChI Key: | XYYVYLMBEZUESM-CMKMFDCUSA-N | |
| SMILES: | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=CC1=O)C | |
Molecular propeties
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| AlogP: | 1.71 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 297.14 | |
| Topological polar surface area: | 38.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 18 | |