Eicosatrienoic acid,
PubChem CID: 6506063
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Eicosatrienoic acid,, 27070-56-0, Icosa-2,4,6-trienoic acid, SCHEMBL25421 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E)-icosa-2,4,6-trienoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 8.3 |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BBWMTEYXFFWPIF-CJBMEHDJSA-N |
| Fcsp3 | 0.65 |
| Logs | -3.034 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.512 |
| Compound Name | Eicosatrienoic acid, |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.972937999999999 |
| Inchi | InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h14-19H,2-13H2,1H3,(H,21,22)/b15-14+,17-16+,19-18+ |
| Smiles | CCCCCCCCCCCCC/C=C/C=C/C=C/C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients