| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | LZ646979LA |
| EPA CompTox | DTXSID1059153 |
| InChI Key | OLCMNCWEUMBNIS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10Cl1N1O2 |
| Molecular Weight | 187.04 |
| AlogP | 1.94 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 44.48 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 97-50-7 |
| NORMAN SUSDAT | |
| FDA SRS | LZ646979LA |
| PubChem | 66807 |
| ChemSpider | 60172.0 |