Megatomoic Acid
PubChem CID: 11172137
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| Compound Synonyms | Megatomoic Acid, 23400-52-4, (3E,5Z)-tetradeca-3,5-dienoic acid, Megatomoic acid [ISO], UNII-1QVW9MN527, Megatomic acid, 3E,5Z-Tetradecadienoic acid, 1QVW9MN527, C14:2n-9,11, (3E,5Z)-tetradecadienoic acid, SCHEMBL16161568, CHEBI:72000, DTXSID901317146, (E,Z)-tetradeca-3,5-dienoic acid, 3-trans,5-cis-tetradecadienoic acid, LMFA01030789, (3E,5Z)-3,5-TETRADECADIENOIC ACID, Q27139854 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5Z)-tetradeca-3,5-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C14H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRUMHTHCEZRHTN-XAZJVICWSA-N |
| Fcsp3 | 0.6428571428571429 |
| Logs | -5.387 |
| Rotatable Bond Count | 10.0 |
| Logd | 5.188 |
| Compound Name | Megatomoic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 224.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.7776327999999992 |
| Inchi | InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-12H,2-8,13H2,1H3,(H,15,16)/b10-9-,12-11+ |
| Smiles | CCCCCCCC/C=C\C=C\CC(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bischofia Javanica (Plant) Rel Props:Source_db:cmaup_ingredients