| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6X80438640 |
| EPA CompTox | DTXSID0021709 |
| InChI Key | KXDAEFPNCMNJSK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N1O1 |
| Molecular Weight | 121.05 |
| AlogP | 1.57 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 44.08 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 55-21-0 |
| NORMAN SUSDAT | |
| FDA SRS | 6X80438640 |
| PubChem | 2331 |
| ChemSpider | 2241.0 |