| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 09L470QH6I |
| EPA CompTox | DTXSID3058086 |
Structure
| InChI Key | ZUSHSDOEVHPTCU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H7Cl1N2O1 |
| Molecular Weight | 206.02 |
| AlogP | 2.5 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 46.01 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40020-01-7 |
| NORMAN SUSDAT | |
| FDA SRS | 09L470QH6I |
| PubChem | 92316 |
| ChemSpider | 83345.0 |
CONTENTS
