| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 25WF7LMF9K |
| EPA CompTox | DTXSID9059466 |
| InChI Key | MQECGSWGDQIHHD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H10Cl1N1O3 |
| Molecular Weight | 275.03 |
| AlogP | 2.85 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 80.39 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 118-04-7 |
| NORMAN SUSDAT | |
| FDA SRS | 25WF7LMF9K |
| PubChem | 67037 |
| ChemSpider | 60388.0 |