Molecule ID: mol21374
SMILES: Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ncnc(N)c3c2)n1
InChI: InChI=1S/C25H21N7O3S/c1-15-12-22(32(31-15)18-10-11-21-20(13-18)24(26)29-14-28-21)25(33)30-17-8-6-16(7-9-17)19-4-2-3-5-23(19)36(27,34)35/h2-14H,1H3,(H,30,33)(H2,26,28,29)(H2,27,34,35)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | OCHEM | 1 » 0 |
| 5.70 | Baltruschat ChEMBL | 1 » 0 |