| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CKN4YMM777 |
| EPA CompTox | DTXSID30202515 |
Structure
| InChI Key | SAWHDJTZESXNMM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9Cl1O3 |
| Molecular Weight | 200.02 |
| AlogP | 2.17 |
| 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 | 5417-17-4 |
| NORMAN SUSDAT | |
| FDA SRS | CKN4YMM777 |
| PubChem | 79445 |
| ChemSpider | 71762.0 |
CONTENTS
