| Keyword(s): | Human Neurotoxin ; Drinking Water Chemicals |
| Molecule Category | Free-form |
| UNII | 1604ZJR09T |
| EPA CompTox | DTXSID1022053 |
Structure
| InChI Key | ZXVONLUNISGICL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6N2O5 |
| Molecular Weight | 198.03 |
| AlogP | 1.52 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 106.51 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 534-52-1 |
| NORMAN SUSDAT | |
| FDA SRS | 1604ZJR09T |
| PubChem | 10800 |
| ChemSpider | 10343.0 |
CONTENTS
