| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | L790J4Y7A3 |
| EPA CompTox | DTXSID3059002 |
Structure
| InChI Key | KDDNKZCVYQDGKE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8Cl1N1 |
| Molecular Weight | 141.03 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 89-97-4 |
| NORMAN SUSDAT | |
| FDA SRS | L790J4Y7A3 |
| PubChem | 66648 |
| ChemSpider | 60015.0 |
CONTENTS
