22-Docosanolide
PubChem CID: 22715389
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| Compound Synonyms | 22-Docosanolide, Oxacyclotricosan-2-one, 58296-51-8, 1-Oxacyclotricosan-2-one, SCHEMBL6830136, DTXSID70627728, CHEBI:180030, LMFA07040059, FA(22:1) |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oxacyclotricosan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 9.6 |
| Molecular Formula | C22H42O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JVNNUYHKIWNNOR-UHFFFAOYSA-N |
| Fcsp3 | 0.9545454545454546 |
| Logs | -7.096 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.094 |
| Compound Name | 22-Docosanolide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.318 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.318 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 338.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.961971200000001 |
| Inchi | InChI=1S/C22H42O2/c23-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-24-22/h1-21H2 |
| Smiles | C1CCCCCCCCCCC(=O)OCCCCCCCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients