| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CC5XC2T8UZ |
| EPA CompTox | DTXSID00161408 |
| InChI Key | ZJRBRKUGRKKZOO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7N1O2 |
| Molecular Weight | 125.05 |
| AlogP | 0.28 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 53.35 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14047-53-1 |
| NORMAN SUSDAT | |
| FDA SRS | CC5XC2T8UZ |
| PubChem | 84169 |
| ChemSpider | 75932.0 |