2-Tricosanone
PubChem CID: 529806
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| Compound Synonyms | 2-Tricosanone, tricosan-2-one, 7320-54-9, 2-?Tricosanone, SCHEMBL6894926, DTXSID00993923, FT181079 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCC=O)C |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricosan-2-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 10.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H46O |
| Inchi Key | HMGAHRPPRPQDAS-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 20.0 |
| Synonyms | tricosanone |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 2-Tricosanone |
| Exact Mass | 338.355 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.355 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 338.6 |
| 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/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24/h3-22H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Himalayanus (Plant) Rel Props:Reference:ISBN:9770972795006