| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TKL9TN43QK |
| EPA CompTox | DTXSID3060827 |
Structure
| InChI Key | IPWFJLQDVFKJDU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11N1O1 |
| Molecular Weight | 101.08 |
| AlogP | 1.71 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 44.08 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 626-97-1 |
| NORMAN SUSDAT | |
| FDA SRS | TKL9TN43QK |
| PubChem | 12298 |
| ChemSpider | 11795.0 |
CONTENTS
