| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D6WDP6K3S2 |
| EPA CompTox | DTXSID30188840 |
Structure
| InChI Key | VIOBGCWEHLRBEP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9Cl1O3 |
| Molecular Weight | 200.02 |
| AlogP | 2.08 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3535-37-3 |
| NORMAN SUSDAT | |
| FDA SRS | D6WDP6K3S2 |
| PubChem | 77070 |
| ChemSpider | 69516.0 |
CONTENTS
