Molecule ID: mol17021
SMILES: CN1C=CN(C2NC(C(Cl)(Cl)Cl)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1
InChI: InChI=1S/C15H16Cl3N5O2S/c1-21-6-8-22(9-7-21)14-20-13(15(16,17)18)10-23(14)11-2-4-12(5-3-11)26(19,24)25/h2-10,14,20H,1H3,(H2,19,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.68 | Baltruschat ChEMBL | 0 » -1 |