| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZJ9Q2PGX6R |
| EPA CompTox | DTXSID40174032 |
Structure
| InChI Key | HETVWNJEAWTHHK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H3Cl1N2O5 |
| Molecular Weight | 229.97 |
| AlogP | 1.88 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 103.35 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 20195-22-6 |
| NORMAN SUSDAT | |
| FDA SRS | ZJ9Q2PGX6R |
| PubChem | 88401 |
| ChemSpider | 79583.0 |
CONTENTS
