| Keyword(s): | Natural Toxins |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID901239871 |
Structure
| InChI Key | BDHFFHBFJUZSBF-BYPYZUCNSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2O4 |
| Molecular Weight | 172.05 |
| AlogP | -1.15 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 98.46 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59476-61-8 |
| NORMAN SUSDAT | |
| PubChem | 3080857 |
| ChemSpider | 2338581.0 |
CONTENTS
