Identifiers & Physical Properties
| CAS No. | 294874-16-1 |
|---|
| Molecular formula | C13H13FN2OS |
|---|
| Average molar mass | 264.32 g/mol |
|---|
| Monoisotopic mass | 264.07326238 g/mol |
|---|
| SMILES | Fc1ccc(-c2csc(N3CCOCC3)n2)cc1 |
|---|
| InChIKey | ZRUYUEXEWVXEDR-UHFFFAOYSA-N |
|---|
| PubChem CID | 683402 |
|---|
| ChEMBL | CHEMBL1391700 |
|---|
| DTXSID | DTXSID301326927 |
|---|
Chemical & Physical Properties
| XLogP | 2.8 |
|---|
| Topological polar surface area | 53.6 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 18 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 268 |
|---|
| Solubility | 2.1 [ug/mL] (The mean of the results at pH 7.4) |
|---|