Vagusstoff
PubChem CID: 5315629
Connections displayed (default: 10).
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| Compound Synonyms | Vagusstoff, SCHEMBL3904052 |
|---|---|
| Topological Polar Surface Area | 27.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 115.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-acetyloxyethyl(trimethyl)azanium, hydroxide |
| Prediction Hob | 0.0 |
| Molecular Formula | C7H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGRLKHMFMUXIOG-UHFFFAOYSA-M |
| Fcsp3 | 0.8571428571428571 |
| Logs | 0.135 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.283 |
| Compound Name | Vagusstoff |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 163.21 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.4171546 |
| Inchi | InChI=1S/C7H16NO2.H2O/c1-7(9)10-6-5-8(2,3)4, /h5-6H2,1-4H3, 1H2/q+1, /p-1 |
| Smiles | CC(=O)OCC[N+](C)(C)C.[OH-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients