| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W49H9TS3ZM |
| EPA CompTox | DTXSID30206376 |
Structure
| InChI Key | BMSLPKADYHPKFF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9Cl1N2 |
| Molecular Weight | 156.05 |
| AlogP | 2.25 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 25.78 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57674-20-1 |
| NORMAN SUSDAT | |
| FDA SRS | W49H9TS3ZM |
| PubChem | 93765 |
| ChemSpider | 83082.0 |
CONTENTS
