11-Hydroxytetradecanoic acid
PubChem CID: 150961
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| Compound Synonyms | 11-Hydroxytetradecanoic acid, 2034-56-2, 11-Hydroxy Myristic Acid, Tetradecanoic acid, 11-hydroxy-, 11-hydroxy-tetradecanoic acid, starbld0004982, 11-hydroxymyristic acid, SCHEMBL1884346, DTXSID80942494, CHEBI:167619, DMCZWEUMVOFXBT-UHFFFAOYSA-N, LMFA01050174, DB-226140, F74666 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | CCCCCCCCCCCCCC=O)O)))))))))))O |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-hydroxytetradecanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H28O3 |
| Inchi Key | DMCZWEUMVOFXBT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | 11-oh-tetradecanoic acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 11-Hydroxytetradecanoic acid |
| Exact Mass | 244.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H28O3/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17) |
| Smiles | CCCC(CCCCCCCCCC(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Dumosa (Plant) Rel Props:Reference:ISBN:9788172360481