| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U7H4FX62Z5 |
| EPA CompTox | DTXSID70163338 |
Structure
| InChI Key | INJNMKQLHWZRQR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H13N3O2 |
| Molecular Weight | 159.1 |
| AlogP | 0.73 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 79.91 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14628-80-9 |
| NORMAN SUSDAT | |
| FDA SRS | U7H4FX62Z5 |
| PubChem | 84562 |
| ChemSpider | 76284.0 |
CONTENTS
