| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7067792 |
| InChI Key | LNEITKYWXMCTLP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.06 |
| AlogP | 2.21 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 84.96 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 33721-54-9 |
| NORMAN SUSDAT | |
| PubChem | 97239 |
| ChemSpider | 87767.0 |