Nalorphine
Representations & DB's id
| ||
| ChEBI: | CHEBI:7458 | |
|---|---|---|
| ChEMBL: | CHEMBL415284 | |
| PubChem: | 5284595 | |
| IUPAC: | (4R,4aR,7S,7aR,12bS)-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol | |
| Standard InChI: | InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1 | |
| Standard InChI Key: | UIQMVEYFGZJHCZ-SSTWWWIQSA-N | |
| SMILES: | C=CCN1CC[C@@]23[C@@H]4[C@H]1Cc1c3c(O[C@H]2[C@H](C=C4)O)c(cc1)O | |
Molecular propeties
| ||
| AlogP: | 1.75 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 311.15 | |
| Topological polar surface area: | 52.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.474 | |
| Number of carbons: | 19 | |