| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JM7K3GHL4L |
| EPA CompTox | DTXSID6063307 |
Structure
| InChI Key | JXMLAPZRDDWRRV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12N2O4 |
| Molecular Weight | 176.08 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 83.64 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4114-28-7 |
| NORMAN SUSDAT | |
| FDA SRS | JM7K3GHL4L |
| PubChem | 77758 |
| ChemSpider | 70157.0 |
CONTENTS
