Morphinan-3-ol
PubChem CID: 519103
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| Compound Synonyms | Morphinan-3-ol, 3-Hydroxymorphinan, (+)-Morphinan-3-ol, 9.alpha.,13.alpha.,14.alpha.-Morphinan-3-ol, CHEMBL42629, SCHEMBL13383458, DTXSID60862686, BDBM587516, AKOS037645618, AS-6181, US11535596, Compound CNS1-D5, Q7051399, 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol |
|---|---|
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H21NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYNWSQDZXMGGGI-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -2.719 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.505 |
| Compound Name | Morphinan-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 243.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 243.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 243.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2586366666666664 |
| Inchi | InChI=1S/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2 |
| Smiles | C1CCC23CCNC(C2C1)CC4=C3C=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients