| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4065812 |
| InChI Key | VYSXJKIBCGUXTM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H15N1O3 |
| Molecular Weight | 269.11 |
| AlogP | 3.23 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 47.89 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14735-72-9 |
| NORMAN SUSDAT | |
| PubChem | 84614 |
| ChemSpider | 76334.0 |