| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WIT7JEA4F4 |
| EPA CompTox | DTXSID30180425 |
Structure
| InChI Key | XIVXINZIDLMMRF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9N1O2 |
| Molecular Weight | 115.06 |
| AlogP | -0.22 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 40.31 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 25741-05-3 |
| NORMAN SUSDAT | |
| FDA SRS | WIT7JEA4F4 |
| PubChem | 117620 |
| ChemSpider | 105109.0 |
CONTENTS
