10,10-Dideuterioundecan-1-ol
PubChem CID: 11789713
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 2.0 |
| Molecular Complexity | 71.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,10-dideuterioundecan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C11H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KJIOQYGWTQBHNH-CBTSVUPCSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.569 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.497 |
| Compound Name | 10,10-Dideuterioundecan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.195 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.195 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 174.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2185100620471996 |
| Inchi | InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3/i2D2 |
| Smiles | [2H]C([2H])(C)CCCCCCCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients