| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6DC2K745C9 |
| EPA CompTox | DTXSID20194955 |
Structure
| InChI Key | AQLVKMXNZBBWJI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H5Cl5O1 |
| Molecular Weight | 303.88 |
| AlogP | 5.52 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 42115-15-1 |
| NORMAN SUSDAT | |
| FDA SRS | 6DC2K745C9 |
| PubChem | 95787 |
| ChemSpider | 86466.0 |
CONTENTS
