| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PF4ILL0I3H |
| EPA CompTox | DTXSID8022240 |
Structure
| InChI Key | VFVHWCKUHAEDMY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H4Cl1N1O3 |
| Molecular Weight | 184.99 |
| AlogP | 2.06 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 60.21 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6361-21-3 |
| NORMAN SUSDAT | |
| FDA SRS | PF4ILL0I3H |
| PubChem | 72933 |
| ChemSpider | 65763.0 |
CONTENTS
