| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7B96053WRS |
| EPA CompTox | DTXSID7021158 |
Structure
| InChI Key | NAYYNDKKHOIIOD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.06 |
| AlogP | 1.45 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 88.16 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 88-96-0 |
| NORMAN SUSDAT | |
| FDA SRS | 7B96053WRS |
| PubChem | 6956 |
| ChemSpider | 6690.0 |
CONTENTS
