| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WVW39ZC2HT |
| EPA CompTox | DTXSID00194034 |
Structure
| InChI Key | RYRZSQQELLQCMZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O2 |
| Molecular Weight | 163.06 |
| AlogP | 1.58 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 42.25 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4107-65-7 |
| NORMAN SUSDAT | |
| FDA SRS | WVW39ZC2HT |
| PubChem | 77750 |
| ChemSpider | 70149.0 |
CONTENTS
