2-Nonacosanone
PubChem CID: 547858
Connections displayed (default: 10).
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| Compound Synonyms | 2-Nonacosanone, nonacosan-2-one, 17600-99-6, nonacosa-2-one, 2-?Nonacosanone, DTXSID10338245, Nonacosane-2-one, SCHEMBL434963, DTXCID40289332 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 13.8 |
| Molecular Formula | C29H58O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LSNQHUIPBPTUCQ-UHFFFAOYSA-N |
| Fcsp3 | 0.9655172413793104 |
| Logs | -7.506 |
| Rotatable Bond Count | 26.0 |
| Logd | 5.044 |
| Compound Name | 2-Nonacosanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.449 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.449 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 422.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.464448400000002 |
| Inchi | InChI=1S/C29H58O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)30/h3-28H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dacrycarpus Imbricatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients