| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 47BO4I4HL2 |
| EPA CompTox | DTXSID7024798 |
Structure
| InChI Key | JQYFSFNSNVRUPY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H6Cl1N1O2 |
| Molecular Weight | 123.01 |
| AlogP | 1.24 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 594-71-8 |
| NORMAN SUSDAT | |
| FDA SRS | 47BO4I4HL2 |
| PubChem | 11673 |
| ChemSpider | 11183.0 |
CONTENTS
