Molecule ID: mol15044
SMILES: c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1
InChI: InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | Datawarrior | 1 » 0 |
| 9.10 | AttenGpKa training set | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |