| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4MA4PW9ML5 |
| EPA CompTox | DTXSID00172711 |
| InChI Key | ABHOEQJNEOMTEK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N1O2 |
| Molecular Weight | 135.03 |
| AlogP | 0.97 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 64.25 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 19179-36-3 |
| NORMAN SUSDAT | |
| FDA SRS | 4MA4PW9ML5 |
| PubChem | 87952 |
| ChemSpider | 79349.0 |