| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90987593 |
Structure
| InChI Key | KRNCRUFKDXQLJZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H3Cl5O |
| Molecular Weight | 241.86 |
| AlogP | 3.12 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68121-36-8 |
| NORMAN SUSDAT | |
| PubChem | 3017831 |
CONTENTS
