| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZP76RGH2QH |
| EPA CompTox | DTXSID60199262 |
Structure
| InChI Key | CPVZVEFIBNWXMH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H20N2O1 |
| Molecular Weight | 160.16 |
| AlogP | -0.09 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 35.5 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51254-17-2 |
| NORMAN SUSDAT | |
| FDA SRS | ZP76RGH2QH |
| PubChem | 98797 |
| ChemSpider | 89233.0 |
CONTENTS
