| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R43Y9JM7M3 |
| EPA CompTox | DTXSID60227690 |
Structure
| InChI Key | VOTXWUCYIOPNNR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5Cl1N2O2 |
| Molecular Weight | 172.0 |
| AlogP | 1.83 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 69.16 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 769-11-9 |
| NORMAN SUSDAT | |
| FDA SRS | R43Y9JM7M3 |
| PubChem | 69855 |
| ChemSpider | 63051.0 |
CONTENTS
