| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H6PSH8C6BM |
| EPA CompTox | DTXSID40180294 |
Structure
| InChI Key | DJBRXNRKYAWTBL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N1O2 |
| Molecular Weight | 127.06 |
| AlogP | 1.72 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2562-37-0 |
| NORMAN SUSDAT | |
| FDA SRS | H6PSH8C6BM |
| PubChem | 75713 |
| ChemSpider | 68231.0 |
CONTENTS
