22-Tricosenoic Acid
PubChem CID: 543855
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| Compound Synonyms | 22-Tricosenoic acid, 65119-95-1, tricos-22-enoic acid, 22-tricosenoicacid, C23:1n-1, CHEBI:73736, DTXSID50337656, 2,2-Tricosenoic acid, MFCD00060118, SCHEMBL994855, DTXCID80288743, 22-Tricosenoic Acid, >/=97%, LMFA01030091, AKOS015839832, BS-22833, CS-0205004, T1211, T72777, Q27144076, 677-358-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | C=CCCCCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricos-22-enoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H44O2 |
| Inchi Key | YGTSVJQQDISEHZ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 21.0 |
| Synonyms | 22-tricosenoic acid |
| Esol Class | Poorly soluble |
| Functional Groups | C=CC, CC(=O)O |
| Compound Name | 22-Tricosenoic Acid |
| Exact Mass | 352.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 352.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| 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/h2H,1,3-22H2,(H,24,25) |
| Smiles | C=CCCCCCCCCCCCCCCCCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167