| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60167820 |
Structure
| InChI Key | YBXYCBGDIALKAK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H4Cl1N1O1 |
| Molecular Weight | 105.0 |
| AlogP | 1.27 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 44.08 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16490-68-9 |
| NORMAN SUSDAT | |
| PubChem | 85450 |
| ChemSpider | 77064.0 |
CONTENTS
