| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4N899ESJ5B |
| EPA CompTox | DTXSID80170179 |
| InChI Key | ALQKEYVDQYGZDN-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 | 17672-22-9 |
| NORMAN SUSDAT | |
| FDA SRS | 4N899ESJ5B |
| PubChem | 413657 |
| ChemSpider | 366251.0 |