| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90172846 |
Structure
| InChI Key | CCNCITSJXCSXJY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Cl2N2S1 |
| Molecular Weight | 219.96 |
| AlogP | 3.27 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.88 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19250-09-0 |
| NORMAN SUSDAT | |
| PubChem | 710776 |
| ChemSpider | 619841.0 |
CONTENTS
