| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EL461OY152 |
| EPA CompTox | DTXSID10221764 |
| InChI Key | JRBXPUUAYKCCLQ-QMMMGPOBSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N1O4 |
| Molecular Weight | 197.07 |
| AlogP | -0.03 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 103.78 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 71522-58-2 |
| NORMAN SUSDAT | |
| FDA SRS | EL461OY152 |
| PubChem | 68908 |
| ChemSpider | 62135.0 |