| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XB7DBM2RWE |
| EPA CompTox | DTXSID80201235 |
Structure
| InChI Key | JKRSQNBRNIYETC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18N2O1 |
| Molecular Weight | 158.14 |
| AlogP | -0.38 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.71 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5317-33-9 |
| NORMAN SUSDAT | |
| FDA SRS | XB7DBM2RWE |
| PubChem | 79208 |
| ChemSpider | 71533.0 |
CONTENTS
