1-Deuteriohexadecan-1-one
PubChem CID: 10776503
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 142.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-deuteriohexadecan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 7.1 |
| Molecular Formula | C16H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NIOYUNMRJMEDGI-QNLPYAOMSA-N |
| Fcsp3 | 0.9375 |
| Logs | -6.314 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.122 |
| Compound Name | 1-Deuteriohexadecan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 241.252 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 241.252 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 241.43 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8544100310235985 |
| Inchi | InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3/i16D |
| Smiles | [2H]C(=O)CCCCCCCCCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients