| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KH86K8FHZ2 |
| EPA CompTox | DTXSID1061522 |
| InChI Key | CSDSSGBPEUDDEE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N1O1 |
| Molecular Weight | 107.04 |
| AlogP | 0.89 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.96 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1121-60-4 |
| NORMAN SUSDAT | |
| FDA SRS | KH86K8FHZ2 |
| PubChem | 14273 |
| ChemSpider | 13635.0 |