| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U3BR8W8F7X |
| EPA CompTox | DTXSID2075132 |
Structure
| InChI Key | MBYQPPXEXWRMQC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7Cl1O1 |
| Molecular Weight | 142.02 |
| AlogP | 1.83 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17849-38-6 |
| NORMAN SUSDAT | |
| FDA SRS | U3BR8W8F7X |
| PubChem | 28810 |
| ChemSpider | 26799.0 |
CONTENTS
