| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8Y5D22IE4S |
| EPA CompTox | DTXSID6059447 |
| InChI Key | QIHMGEKACAOTPE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H8Cl1N1O2 |
| Molecular Weight | 257.02 |
| AlogP | 2.7 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 60.16 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 117-11-3 |
| NORMAN SUSDAT | |
| FDA SRS | 8Y5D22IE4S |
| PubChem | 8327 |
| ChemSpider | 8024.0 |