Molecule ID: mol15427
SMILES: Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C
InChI: InChI=1S/C15H15FN4O/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9/h4-7H,8H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.69 | QSARToolbox | 1 » 0 |
| 4.69 | Datawarrior | 1 » 0 |
| 4.69 | OCHEM | 1 » 0 |