| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4066387 |
Structure
| InChI Key | VCFXBAPEXBTNEA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H5Cl1N2O2 |
| Molecular Weight | 160.0 |
| AlogP | 0.63 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 66.24 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18592-13-7 |
| NORMAN SUSDAT | |
| PubChem | 73273 |
| ChemSpider | 66019.0 |
CONTENTS
