Molecule ID: mol19302
SMILES: CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2cc(C)[nH]c12
InChI: InChI=1S/C21H26N4O/c1-6-15-9-7-8-13(2)16(15)12-22-17-11-19(21(26)25(4)5)24-18-10-14(3)23-20(17)18/h7-11,23H,6,12H2,1-5H3,(H,22,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.39 | QSARToolbox | 1 » 0 |
| 7.39 | OCHEM | 1 » 0 |
| 7.39 | Baltruschat ChEMBL | 1 » 0 |