| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9JDK6275GP |
| EPA CompTox | DTXSID0060850 |
Structure
| InChI Key | ZFCFBWSVQWGOJJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6Cl1N1 |
| Molecular Weight | 103.02 |
| AlogP | 1.53 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 628-20-6 |
| NORMAN SUSDAT | |
| FDA SRS | 9JDK6275GP |
| PubChem | 12336 |
| ChemSpider | 7714.0 |
CONTENTS
