Heptatriacontanoic acid
PubChem CID: 5282597
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| Compound Synonyms | heptatriacontanoic acid, 38232-07-4, C37:0, SCHEMBL1471133, CHEMBL3103071, DTXSID10415222, CHEBI:165442, LMFA01010037, FA 37:0, Q17143538 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 39.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptatriacontanoic acid |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 17.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C37H74O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DEQQJCLFURALOA-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 0.972972972972973 |
| Rotatable Bond Count | 35.0 |
| Synonyms | heptatriacontanoic acid |
| Esol Class | Insoluble |
| Functional Groups | CC(=O)O |
| Compound Name | Heptatriacontanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 550.569 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 550.569 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 551.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Esol | -12.601181400000003 |
| Inchi | InChI=1S/C37H74O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(38)39/h2-36H2,1H3,(H,38,39) |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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 Abelmoschus Manihot (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Strobilanthes Callosa (Plant) Rel Props:Reference:ISBN:9770972795006