| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 960CWM3IE8 |
| EPA CompTox | DTXSID2066149 |
Structure
| InChI Key | OGMITUYZIACKHB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9Cl1O3 |
| Molecular Weight | 188.02 |
| AlogP | 1.03 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 60.69 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17026-49-2 |
| NORMAN SUSDAT | |
| FDA SRS | 960CWM3IE8 |
| PubChem | 86914 |
| ChemSpider | 78408.0 |
CONTENTS
