| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30185359 |
Structure
| InChI Key | CWGGORUVLAOGPD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H10N2O3 |
| Molecular Weight | 206.07 |
| AlogP | 1.77 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 86.23 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 31431-23-9 |
| NORMAN SUSDAT | |
| PubChem | 3015566 |
| ChemSpider | 2283684.0 |
CONTENTS
