| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QCG4ES2A26 |
| EPA CompTox | DTXSID20182594 |
| InChI Key | HCPJEHJGFKWRFM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N1O1 |
| Molecular Weight | 123.07 |
| AlogP | 1.28 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 46.25 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2835-98-5 |
| NORMAN SUSDAT | |
| FDA SRS | QCG4ES2A26 |
| PubChem | 76082 |
| ChemSpider | 68571.0 |