| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10145416 |
Structure
| InChI Key | MTXKQBHZBNCFSC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H8N2O4 |
| Molecular Weight | 268.05 |
| AlogP | 1.95 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 103.3 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10262-82-5 |
| NORMAN SUSDAT | |
| PubChem | 4532120 |
| ChemSpider | 3726813.0 |
CONTENTS
