Molecule ID: mol38187
SMILES: CN1C(=O)CN=C(c2ccccc2F)c2cc(N)ccc21
InChI: InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.55 | QSARToolbox | 1 » 0 |