| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10182003 |
Structure
| InChI Key | STNAQENUCOFEKN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H4Cl1N1O1 |
| Molecular Weight | 165.0 |
| AlogP | 1.94 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.86 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 27611-63-8 |
| NORMAN SUSDAT | |
| PubChem | 119681 |
| ChemSpider | 106858.0 |
CONTENTS
