| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 56DW142LLX |
| EPA CompTox | DTXSID50201343 |
| InChI Key | NLXGCQIEVZYDRS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H11Cl1N2O1 |
| Molecular Weight | 270.06 |
| AlogP | 3.58 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.01 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 53242-88-9 |
| NORMAN SUSDAT | |
| FDA SRS | 56DW142LLX |
| PubChem | 104452 |
| ChemSpider | 94297.0 |