| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | BOQUJWASRWDQOS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Cl2N4S1 |
| Molecular Weight | 247.97 |
| AlogP | 3.45 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 60.6 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5836-73-7 |
| NORMAN SUSDAT |
CONTENTS
