7,10,13-Eicosatrienoic acid
PubChem CID: 5312532
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7,10,13-Eicosatrienoic acid, SCHEMBL15562867, LMFA01030382 |
|---|---|
| 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 | (7E,10E,13E)-icosa-7,10,13-trienoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KSDMISMEMOGBFU-SPOHZTNBSA-N |
| Fcsp3 | 0.65 |
| Logs | -3.937 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.573 |
| Compound Name | 7,10,13-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 | -5.393338 |
| 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/h7-8,10-11,13-14H,2-6,9,12,15-19H2,1H3,(H,21,22)/b8-7+,11-10+,14-13+ |
| Smiles | CCCCCC/C=C/C/C=C/C/C=C/CCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients