Decyl dichloroacetate
PubChem CID: 522796
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| Compound Synonyms | Decyl dichloroacetate, Dichloroacetic acid, decyl ester, 83005-00-9, DTXSID20335068, Decyl dichloroacetate #, DTXCID70286157 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decyl 2,2-dichloroacetate |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C12H22Cl2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZMLAQDPXQKQOGC-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -5.609 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.156 |
| Compound Name | Decyl dichloroacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 269.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4623143999999995 |
| Inchi | InChI=1S/C12H22Cl2O2/c1-2-3-4-5-6-7-8-9-10-16-12(15)11(13)14/h11H,2-10H2,1H3 |
| Smiles | CCCCCCCCCCOC(=O)C(Cl)Cl |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients