| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BY92T4GBX5 |
| EPA CompTox | DTXSID80208289 |
| InChI Key | JFXDIXYFXDOZIT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11N1O1 |
| Molecular Weight | 137.08 |
| AlogP | 1.74 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 21.26 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5961-59-1 |
| NORMAN SUSDAT | |
| FDA SRS | BY92T4GBX5 |
| PubChem | 22250 |
| ChemSpider | 20889.0 |