| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W1VBK275PQ |
| EPA CompTox | DTXSID70213241 |
Structure
| InChI Key | JDVPQXZIJDEHAN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7N1O3 |
| Molecular Weight | 117.04 |
| AlogP | 0.39 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 81.38 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 638-32-4 |
| NORMAN SUSDAT | |
| FDA SRS | W1VBK275PQ |
| PubChem | 12522 |
| ChemSpider | 12005.0 |
CONTENTS
