| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10204335 |
Structure
| InChI Key | YIKBQFPTPKEFSM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O6 |
| Molecular Weight | 227.04 |
| AlogP | 1.31 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 98.9 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 55776-17-5 |
| NORMAN SUSDAT | |
| PubChem | 3085094 |
| ChemSpider | 2342060.0 |
CONTENTS
