Molecule ID: mol15561
SMILES: Cc1cc2c(cc1N)Sc1cc(N(C)C)ccc1N2
InChI: InChI=1S/C15H17N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8,17H,16H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.81 | QSARToolbox | 1 » 0 |
| 4.81 | Datawarrior | 1 » 0 |
| 5.11 | OCHEM | 1 » 0 |
| 5.41 | QSARToolbox | 1 » 0 |
| 5.41 | Datawarrior | 1 » 0 |