| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1N7ETM5RG0 |
| EPA CompTox | DTXSID7042350 |
Structure
| InChI Key | DGPBHERUGBOSFZ-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H12Cl1N1O1 |
| Molecular Weight | 221.06 |
| AlogP | 2.28 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.31 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21267-72-1 |
| NORMAN SUSDAT | |
| FDA SRS | 1N7ETM5RG0 |
| ChemSpider | 28361.0 |
CONTENTS
