| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PHX9UH9AV1 |
| EPA CompTox | DTXSID2065129 |
Structure
| InChI Key | QWKAVVNRCKPKNM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9N1O2 |
| Molecular Weight | 103.06 |
| AlogP | 0.83 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 41.82 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10576-12-2 |
| NORMAN SUSDAT | |
| FDA SRS | PHX9UH9AV1 |
| PubChem | 99894 |
| ChemSpider | 90256.0 |
CONTENTS
