Molecule ID: mol21376
SMILES: Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3ccncc3c2)n1
InChI: InChI=1S/C26H21N5O3S/c1-17-14-24(31(30-17)22-11-8-18-12-13-28-16-20(18)15-22)26(32)29-21-9-6-19(7-10-21)23-4-2-3-5-25(23)35(27,33)34/h2-16H,1H3,(H,29,32)(H2,27,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.40 | OCHEM | 1 » 0 |
| 5.40 | Baltruschat ChEMBL | 1 » 0 |