| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9VC26H4S45 |
| EPA CompTox | DTXSID40207394 |
Structure
| InChI Key | JMNCUXPHXKHBPY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7Cl2N1O2 |
| Molecular Weight | 170.99 |
| AlogP | 1.34 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 53.31 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 587-01-9 |
| NORMAN SUSDAT | |
| FDA SRS | 9VC26H4S45 |
| PubChem | 68516 |
| ChemSpider | 61791.0 |
CONTENTS
