| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TJY84KYJ2P |
| EPA CompTox | DTXSID2067537 |
| InChI Key | BVMOJUSYEYRSRG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7Cl1N2O2 |
| Molecular Weight | 186.02 |
| AlogP | 2.06 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 64.85 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 30085-34-8 |
| NORMAN SUSDAT | |
| FDA SRS | TJY84KYJ2P |
| PubChem | 97464 |
| ChemSpider | 87971.0 |