| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XK7MB95ZPN |
| EPA CompTox | DTXSID7065887 |
| InChI Key | PJEXUIKBGBSHBS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9N1O2 |
| Molecular Weight | 115.06 |
| AlogP | -0.44 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.54 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 15438-71-8 |
| NORMAN SUSDAT | |
| FDA SRS | XK7MB95ZPN |
| PubChem | 84911 |
| ChemSpider | 76601.0 |