Molecule ID: mol21772
SMILES: O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChI: InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |