Tricosanoate
PubChem CID: 17976333
Connections displayed (default: 10).
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| Compound Synonyms | tricosanoate, CHEBI:79007, Q27148085 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricosanoate |
| Prediction Hob | 0.0 |
| Xlogp | 10.8 |
| Molecular Formula | C23H45O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | XEZVDURJDFGERA-UHFFFAOYSA-M |
| Fcsp3 | 0.9565217391304348 |
| Logs | -6.662 |
| Rotatable Bond Count | 20.0 |
| Logd | 3.804 |
| Compound Name | Tricosanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 353.342 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 353.342 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 353.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.4268882 |
| Inchi | InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)/p-1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adenanthera Pavonina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Changium Smyrnioides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients