| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M3NHB39T5E |
| EPA CompTox | DTXSID2070558 |
Structure
| InChI Key | FPWNJWWLQAXJAA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9N1O3 |
| Molecular Weight | 119.06 |
| AlogP | -1.52 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 72.55 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67674-52-6 |
| NORMAN SUSDAT | |
| FDA SRS | M3NHB39T5E |
| PubChem | 105540 |
| ChemSpider | 95169.0 |
CONTENTS
