Molecule ID: mol17020
SMILES: CN1C=CC(C2NC(C(Cl)(Cl)Cl)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1
InChI: InChI=1S/C16H17Cl3N4O2S/c1-22-8-6-11(7-9-22)15-21-14(16(17,18)19)10-23(15)12-2-4-13(5-3-12)26(20,24)25/h2-11,15,21H,1H3,(H2,20,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.89 | Baltruschat ChEMBL | 0 » -1 |