| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 49I1A7125L |
| EPA CompTox | DTXSID10199535 |
Structure
| InChI Key | VZELUFSMNDBCBO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.07 |
| AlogP | 1.14 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.43 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51581-32-9 |
| NORMAN SUSDAT | |
| FDA SRS | 49I1A7125L |
| PubChem | 98821 |
| ChemSpider | 89255.0 |
CONTENTS
