| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VX4306NSH1 |
| EPA CompTox | DTXSID3022160 |
Structure
| InChI Key | BEYOBVMPDRKTNR-BUHFOSPRSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H10N2O1 |
| Molecular Weight | 198.08 |
| AlogP | 2.15 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 41.46 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1689-82-3 |
| NORMAN SUSDAT | |
| FDA SRS | VX4306NSH1 |
| ChemSpider | 4510428.0 |
CONTENTS
