| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JCM10841JE |
| EPA CompTox | DTXSID90196502 |
Structure
| InChI Key | XDEHMKQLKPZERH-BYPYZUCNSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12N2O1 |
| Molecular Weight | 116.09 |
| AlogP | 0.5 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 70.1 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4540-60-7 |
| NORMAN SUSDAT | |
| FDA SRS | JCM10841JE |
| PubChem | 445637 |
| ChemSpider | 393215.0 |
CONTENTS
