| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | K6XV87Z8LP |
| EPA CompTox | DTXSID60143740 |
Structure
| InChI Key | CQIKVOWCSGXCCG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.07 |
| AlogP | 2.03 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 55.17 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10112-15-9 |
| NORMAN SUSDAT | |
| FDA SRS | K6XV87Z8LP |
| PubChem | 82354 |
| ChemSpider | 18227.0 |
CONTENTS
