| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BWS884BV2R |
| EPA CompTox | DTXSID10195971 |
Structure
| InChI Key | ILNCXUYVDNKISU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N1O2 |
| Molecular Weight | 127.06 |
| AlogP | 0.66 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 42.25 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4388-58-3 |
| NORMAN SUSDAT | |
| FDA SRS | BWS884BV2R |
| PubChem | 78098 |
| ChemSpider | 70476.0 |
CONTENTS
