| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90226974 |
Structure
| InChI Key | WWFSTEZXAGUMLJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H19N1O3 |
| Molecular Weight | 177.14 |
| AlogP | -0.69 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 52.93 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 76088-46-5 |
| NORMAN SUSDAT | |
| PubChem | 12623432 |
| ChemSpider | 11559048.0 |
CONTENTS
