| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50187658 |
Structure
| InChI Key | HRPHZUAPQWJPCZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8Cl1N1O3 |
| Molecular Weight | 261.02 |
| AlogP | 3.48 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 60.21 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 34052-37-4 |
| NORMAN SUSDAT | |
| PubChem | 118591 |
| ChemSpider | 105990.0 |
CONTENTS
