Molecule ID: mol17174
SMILES: Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CS(C)(=O)=O)cnc2C(N)=O)c1
InChI: InChI=1S/C17H24N6O3S/c1-10-4-11(2)22-15(5-10)23-14-6-13(8-21-16(14)17(19)24)20-7-12(18)9-27(3,25)26/h4-6,8,12,20H,7,9,18H2,1-3H3,(H2,19,24)(H,22,23)/t12-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | OCHEM | 2 » 1 |
| 5.70 | Baltruschat ChEMBL | 2 » 1 |