| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PMY9E7N50V |
| EPA CompTox | DTXSID70166389 |
Structure
| InChI Key | GBHSCKFAHCEEAZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9N1O3 |
| Molecular Weight | 119.06 |
| AlogP | -1.05 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 60.77 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15826-50-3 |
| NORMAN SUSDAT | |
| FDA SRS | PMY9E7N50V |
| PubChem | 85125 |
| ChemSpider | 76774.0 |
CONTENTS
