5Z,9Z,19E-hexacosatrienoic acid
PubChem CID: 14215566
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| Compound Synonyms | 5Z,9Z,19E-hexacosatrienoic acid, 26:3(5Z,9Z,19E), C26:3n-7,17,21, LMFA01030884 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,9Z,19E)-hexacosa-5,9,19-trienoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 9.7 |
| Molecular Formula | C26H46O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AVXZCQUJHUWUHY-JOIPDBNZSA-N |
| Fcsp3 | 0.7307692307692307 |
| Logs | -2.258 |
| Rotatable Bond Count | 21.0 |
| Logd | 4.729 |
| Compound Name | 5Z,9Z,19E-hexacosatrienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.35 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.35 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 390.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -7.440642400000001 |
| Inchi | InChI=1S/C26H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h7-8,17-18,21-22H,2-6,9-16,19-20,23-25H2,1H3,(H,27,28)/b8-7+,18-17-,22-21- |
| Smiles | CCCCCC/C=C/CCCCCCCC/C=C\CC/C=C\CCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients