Hexyl sulfate
PubChem CID: 3968640
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| Compound Synonyms | hexyl sulfate, hexylsulfate, hexyl sulfate(1-), CHEBI:157688 |
|---|---|
| Topological Polar Surface Area | 74.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexyl sulfate |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C6H13O4S- |
| Prediction Swissadme | 0.0 |
| Inchi Key | IDUWTCGPAPTSFB-UHFFFAOYSA-M |
| Fcsp3 | 1.0 |
| Logs | -2.786 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.853 |
| Compound Name | Hexyl sulfate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 181.053 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 181.053 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 181.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5063445999999998 |
| Inchi | InChI=1S/C6H14O4S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H,7,8,9)/p-1 |
| Smiles | CCCCCCOS(=O)(=O)[O-] |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Galeola Faberi (Plant) Rel Props:Source_db:cmaup_ingredients