| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40887276 |
| InChI Key | WJILYNHHWNITTM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H16N5O5 |
| Molecular Weight | 381.11 |
| AlogP | 3.01 |
| Hydrogen Bond Acceptor | 8.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 126.83 |
| Heavy Atoms | 28.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68213-91-2 |
| NORMAN SUSDAT | |
| PubChem | 20844413 |