Molecule ID: mol3504
SMILES: Cc1cc(N)ccc1-c1ccc(N)cc1C
InChI: InChI=1S/C14H16N2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,15-16H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | IUPAC digitized pKa | 1 » 0 |
| 3.70 | Datawarrior | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |
| 4.30 | OCHEM | 1 » 0 |
| 4.90 | Datawarrior | 1 » 0 |
| 4.90 | OCHEM | 1 » 0 |
| 4.90 | IUPAC digitized pKa | 2 » 1 |
| 4.90 | QSARToolbox | 1 » 0 |
| 5.16 | AttenGpKa training set | 1 » 0 |