6-Methoxycinchonan-9-ol
PubChem CID: 102439
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| Compound Synonyms | 6-methoxycinchonan-9-ol, SCHEMBL454394, DTXSID80972650 |
|---|---|
| Topological Polar Surface Area | 45.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 457.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-ethenyl-7-methoxy-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C20H24N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NAXGSHXNYVZTNO-UHFFFAOYSA-N |
| Fcsp3 | 0.45 |
| Logs | -1.495 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.398 |
| Compound Name | 6-Methoxycinchonan-9-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 324.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.184 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5967621333333337 |
| Inchi | InChI=1S/C20H24N2O2/c1-3-13-12-22-18(10-14(13)11-19(22)24-2)20(23)16-8-9-21-17-7-5-4-6-15(16)17/h3-9,13-14,18-20,23H,1,10-12H2,2H3 |
| Smiles | COC1CC2CC(N1CC2C=C)C(C3=CC=NC4=CC=CC=C34)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinchona Calisaya (Plant) Rel Props:Source_db:cmaup_ingredients