| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8TK4ZYY6MC |
| EPA CompTox | DTXSID3066633 |
| InChI Key | CHDKQNHKDMEASZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7N1O2 |
| Molecular Weight | 125.05 |
| AlogP | 0.84 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 49.66 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 20602-80-6 |
| NORMAN SUSDAT | |
| FDA SRS | 8TK4ZYY6MC |
| PubChem | 88612 |
| ChemSpider | 79950.0 |