| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A2S8F7R5F9 |
| EPA CompTox | DTXSID10209224 |
Structure
| InChI Key | AJTNPTIVLIQFSR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H20N2O3 |
| Molecular Weight | 192.15 |
| AlogP | -2.15 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 75.96 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 60487-26-5 |
| NORMAN SUSDAT | |
| FDA SRS | A2S8F7R5F9 |
| PubChem | 108950 |
| ChemSpider | 97978.0 |
CONTENTS
