| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UY5E89BBS6 |
| EPA CompTox | DTXSID4074695 |
| InChI Key | KLXSUMLEPNAZFK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O1 |
| Molecular Weight | 133.05 |
| AlogP | 1.57 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 33.02 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1527-89-5 |
| NORMAN SUSDAT | |
| FDA SRS | UY5E89BBS6 |
| PubChem | 73712 |
| ChemSpider | 66355.0 |