Molecule ID: mol3502
SMILES: Cc1cccc(N)c1-c1c(C)cccc1N
InChI: InChI=1S/C14H16N2/c1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h3-8H,15-16H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | QSARToolbox | 2 » 1 |
| 2.10 | QSARToolbox | 2 » 1 |
| 2.10 | IUPAC digitized pKa | 2 » 1 |
| 2.10 | Datawarrior | 2 » 1 |
| 2.20 | IUPAC digitized pKa | 2 » 1 |
| 2.20 | QSARToolbox | 2 » 1 |
| 3.70 | IUPAC digitized pKa | 1 » 0 |
| 3.70 | Datawarrior | 2 » 1 |
| 3.70 | OCHEM | 2 » 1 |
| 3.70 | OCHEM | 2 » 1 |
| 3.70 | OCHEM | 2 » 1 |
| 3.70 | QSARToolbox | 2 » 1 |