| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MHT46RR45X |
| EPA CompTox | DTXSID00182052 |
| InChI Key | CUTYZBYXXYWWHB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H13N1O3 |
| Molecular Weight | 243.09 |
| AlogP | 2.33 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 48.42 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 27693-42-1 |
| NORMAN SUSDAT | |
| FDA SRS | MHT46RR45X |
| PubChem | 119701 |
| ChemSpider | 106876.0 |