| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B2A2RC7BBL |
| EPA CompTox | DTXSID60191862 |
Structure
| InChI Key | DVRGUTNVDGIKTP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5Cl1N2O3 |
| Molecular Weight | 188.0 |
| AlogP | 1.65 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 65.26 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 38533-61-8 |
| NORMAN SUSDAT | |
| FDA SRS | B2A2RC7BBL |
| PubChem | 2795029 |
| ChemSpider | 2073912.0 |
CONTENTS
