Molecule ID: mol32358
SMILES: Cc1cc(C)c(N=Nc2c(C)cc(O)cc2C)c(C)c1
InChI: InChI=1S/C17H20N2O/c1-10-6-11(2)16(12(3)7-10)18-19-17-13(4)8-15(20)9-14(17)5/h6-9,20H,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.30 | OCHEM | 2 » 1 |
| -1.30 | QSARToolbox | 2 » 1 |
| 9.10 | QSARToolbox | 0 » -1 |
| 9.10 | QSARToolbox | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |