Molecule ID: mol21373
SMILES: Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc(N)nc2)n1
InChI: InChI=1S/C22H20N6O3S/c1-14-12-19(28(27-14)17-10-11-21(23)25-13-17)22(29)26-16-8-6-15(7-9-16)18-4-2-3-5-20(18)32(24,30)31/h2-13H,1H3,(H2,23,25)(H,26,29)(H2,24,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | OCHEM | 0 » -1 |
| 7.00 | Baltruschat ChEMBL | 0 » -1 |