Tropine hydrate
PubChem CID: 16218784
Connections displayed (default: 10).
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| Compound Synonyms | tropine hydrate, 120-29-6, SCHEMBL228981, AKOS024386415, AS-35313, 345957-20-2 |
|---|---|
| Topological Polar Surface Area | 24.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol, hydrate |
| Prediction Hob | 1.0 |
| Molecular Formula | C8H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUKOYCMHZJODGT-PAFGHYSMSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.206 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.132 |
| Compound Name | Tropine hydrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 159.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 159.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 159.23 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0036197999999998 |
| Inchi | InChI=1S/C8H15NO.H2O/c1-9-6-2-3-7(9)5-8(10)4-6, /h6-8,10H,2-5H2,1H3, 1H2/t6-,7+,8?, |
| Smiles | CN1[C@@H]2CC[C@H]1CC(C2)O.O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anisodus Tanguticus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Datura Metel (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hyoscyamus Niger (Plant) Rel Props:Source_db:cmaup_ingredients