(1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID: 10374559
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 3.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C8H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | QQXLDOJGLXJCSE-KYWJIGBISA-N |
| Fcsp3 | 0.875 |
| Logs | -0.857 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.26 |
| Compound Name | (1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.119 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.119 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8699410930707998 |
| Inchi | InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+/i1D3 |
| Smiles | [2H]C([2H])([2H])N1[C@@H]2CC[C@H]1CC(=O)C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anisodus Luridus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Anisodus Tanguticus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Datura Inoxia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Datura Metel (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Hyoscyamus Niger (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Nicandra Physalodes (Plant) Rel Props:Source_db:cmaup_ingredients