Molecule ID: mol32231
SMILES: Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3onc(N)c3c2)n1
InChI: InChI=1S/C24H20N6O4S/c1-14-12-20(30(28-14)17-10-11-21-19(13-17)23(25)29-34-21)24(31)27-16-8-6-15(7-9-16)18-4-2-3-5-22(18)35(26,32)33/h2-13H,1H3,(H2,25,29)(H,27,31)(H2,26,32,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | OCHEM | 1 » 0 |