| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10936962 |
Structure
| InChI Key | NRSMVAFUFMOXFI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7ClN3O |
| Molecular Weight | 195.02 |
| AlogP | 2.8 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 65.83 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16461-71-5 |
| NORMAN SUSDAT | |
| PubChem | 85429 |
CONTENTS
