| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Z3OC8499KG |
| EPA CompTox | DTXSID20185242 |
| InChI Key | SGNZYJXNUURYCH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O2 |
| Molecular Weight | 149.05 |
| AlogP | 1.58 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Polar Surface Area | 56.25 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3131-52-0 |
| NORMAN SUSDAT | |
| FDA SRS | Z3OC8499KG |
| PubChem | 114683 |
| ChemSpider | 102690.0 |