| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XHP5J23AZ5 |
| EPA CompTox | DTXSID8075255 |
Structure
| InChI Key | NDDZXHOCOKCNBM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.04 |
| AlogP | 2.14 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.03 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 607-34-1 |
| NORMAN SUSDAT | |
| FDA SRS | XHP5J23AZ5 |
| PubChem | 11829 |
| ChemSpider | 11336.0 |
CONTENTS
