| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30212578 |
Structure
| InChI Key | MLQZANYFUYLJRK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9Cl1N1O1 |
| Molecular Weight | 182.04 |
| AlogP | 3.19 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 16.23 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 63212-53-3 |
| NORMAN SUSDAT | |
| PubChem | 2724240 |
| ChemSpider | 11259435.0 |
CONTENTS
