Molecule ID: mol14710
SMILES: CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2
InChI: InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Baltruschat ChEMBL | 1 » 0 |
| 5.01 | QSARToolbox | 1 » 0 |
| 5.20 | QSARToolbox | 1 » 0 |
| 5.27 | Datawarrior | 1 » 0 |
| 5.40 | OCHEM | 1 » 0 |
| 5.53 | Datawarrior | 1 » 0 |
| 5.55 | QSARToolbox | 1 » 0 |
| 5.87 | QSARToolbox | 1 » 0 |