| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CG29V43MZQ |
| EPA CompTox | DTXSID70202514 |
| InChI Key | NNZHIHXNIKLVHS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H30N2O4 |
| Molecular Weight | 278.22 |
| AlogP | -1.27 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 14.0 |
| Polar Surface Area | 87.4 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5417-05-0 |
| NORMAN SUSDAT | |
| FDA SRS | CG29V43MZQ |
| PubChem | 79444 |
| ChemSpider | 71761.0 |