Dotriacontanoic acid
PubChem CID: 19255
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| Compound Synonyms | DOTRIACONTANOIC ACID, Lacceroic acid, Lacceric acid, 3625-52-3, C32:0, CHEMBL1917282, CHEBI:76215, PB0234915O, UNII-PB0234915O, n-dotriacontanoic acid, SCHEMBL196790, DTXSID30189791, BDBM50357391, LMFA01010032, FA 32:0, DB-254600, Q2823259 |
|---|---|
| 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 | Hydroxy fatty acids, Unsaturated fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P51452, P35236 |
| Iupac Name | dotriacontanoic acid |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 15.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H64O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICAIHSUWWZJGHD-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 0.96875 |
| Logs | -7.333 |
| Rotatable Bond Count | 30.0 |
| Logd | 4.295 |
| Synonyms | dotriacontanoic acid, lacceric acid, lacceroic acid |
| Esol Class | Insoluble |
| Functional Groups | CC(=O)O |
| Compound Name | Dotriacontanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 480.491 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 480.491 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 480.8 |
| 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 |
| Esol | -11.689994800000003 |
| Inchi | InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h2-31H2,1H3,(H,33,34) |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
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