| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A7F97ZPU2W |
| EPA CompTox | DTXSID70209063 |
Structure
| InChI Key | KUCWUAFNGCMZDB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2O3 |
| Molecular Weight | 154.04 |
| AlogP | 0.88 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 89.39 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 603-85-0 |
| NORMAN SUSDAT | |
| FDA SRS | A7F97ZPU2W |
| PubChem | 4115495 |
| ChemSpider | 3329016.0 |
CONTENTS
