Molecule ID: mol3503
SMILES: Cc1ccc(N)cc1-c1cc(N)ccc1C
InChI: InChI=1S/C14H16N2/c1-9-3-5-11(15)7-13(9)14-8-12(16)6-4-10(14)2/h3-8H,15-16H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 1 » 0 |
| 3.80 | QSARToolbox | 1 » 0 |
| 3.80 | IUPAC digitized pKa | 1 » 0 |
| 3.80 | IUPAC digitized pKa | 1 » 0 |
| 3.80 | Datawarrior | 1 » 0 |
| 4.40 | OCHEM | 1 » 0 |
| 5.00 | Datawarrior | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |
| 5.00 | IUPAC digitized pKa | 2 » 1 |