| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9069390 |
| InChI Key | ACOHLVVMLNSRSQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H11N3O2 |
| Molecular Weight | 277.09 |
| AlogP | 3.71 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 68.92 |
| Heavy Atoms | 21.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 60246-14-2 |
| NORMAN SUSDAT | |
| PubChem | 108429 |
| ChemSpider | 97487.0 |