| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FR8F65J27W |
| EPA CompTox | DTXSID80210983 |
| InChI Key | JSHSRQCOCMIIPA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13N1O5 |
| Molecular Weight | 227.08 |
| AlogP | 0.99 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 91.01 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 61948-85-4 |
| NORMAN SUSDAT | |
| FDA SRS | FR8F65J27W |
| PubChem | 96602 |
| ChemSpider | 87213.0 |