Tricos-15-enoic acid
PubChem CID: 71343354
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| Compound Synonyms | tricos-15-enoic acid, 140703-38-4, DTXSID60769964, Tricos-15-enoate, DTXCID10720707, VAZJHGPTEDCROE-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricos-15-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 9.2 |
| Molecular Formula | C23H44O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VAZJHGPTEDCROE-UHFFFAOYSA-N |
| Fcsp3 | 0.8695652173913043 |
| Logs | -6.494 |
| Rotatable Bond Count | 20.0 |
| Logd | 3.914 |
| Compound Name | Tricos-15-enoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 352.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.226638600000001 |
| Inchi | InChI=1S/C23H44O2/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/h8-9H,2-7,10-22H2,1H3,(H,24,25) |
| Smiles | CCCCCCCC=CCCCCCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Hispidum (Plant) Rel Props:Source_db:cmaup_ingredients