| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50193158 |
Structure
| InChI Key | DFKLUMFIWPTGHP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5Cl1N4 |
| Molecular Weight | 168.02 |
| AlogP | 0.5 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 76.32 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40127-91-1 |
| NORMAN SUSDAT | |
| PubChem | 583772 |
| ChemSpider | 256403.0 |
CONTENTS
