| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80233677 |
| InChI Key | SXHSXUJZDOVNJP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H13N3O5 |
| Molecular Weight | 363.09 |
| AlogP | 4.42 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 115.38 |
| Heavy Atoms | 27.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84682-33-7 |
| NORMAN SUSDAT | |
| PubChem | 3833798 |
| ChemSpider | 3059657.0 |