| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5EW54CL2K7 |
| EPA CompTox | DTXSID0059742 |
Structure
| InChI Key | SYJPAKDNFZLSMV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9N1O1 |
| Molecular Weight | 87.07 |
| AlogP | 1.1 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 32.59 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 151-00-8 |
| NORMAN SUSDAT | |
| FDA SRS | 5EW54CL2K7 |
| PubChem | 9023 |
| ChemSpider | 8672.0 |
CONTENTS
