| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DB2TUJ3PPD |
| EPA CompTox | DTXSID10173239 |
| InChI Key | KDQDRZOROIKCCP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H15N3O4 |
| Molecular Weight | 277.11 |
| AlogP | 1.0 |
| Hydrogen Bond Acceptor | 7.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 83.31 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 19572-10-2 |
| NORMAN SUSDAT | |
| FDA SRS | DB2TUJ3PPD |
| PubChem | 88152 |
| ChemSpider | 79525.0 |