| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N2E3I3E7NZ |
| EPA CompTox | DTXSID2022206 |
Structure
| InChI Key | WMXDFLUIDJYHMF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H15N1O6 |
| Molecular Weight | 233.09 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 82.14 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3206-31-3 |
| NORMAN SUSDAT | |
| FDA SRS | N2E3I3E7NZ |
| PubChem | 76671 |
| ChemSpider | 69133.0 |
CONTENTS
