Molecule ID: mol5072
SMILES: Cc1cc(C)c2c(C)cc3c(C)nccc3c2n1
InChI: InChI=1S/C16H16N2/c1-9-7-11(3)18-16-13-5-6-17-12(4)14(13)8-10(2)15(9)16/h5-8H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.75 | IUPAC digitized pKa | 2 » 1 |
| 2.85 | IUPAC digitized pKa | 2 » 1 |
| 3.00 | IUPAC digitized pKa | 2 » 1 |
| 3.20 | IUPAC digitized pKa | 2 » 1 |
| 4.85 | IUPAC digitized pKa | 1 » 0 |
| 4.95 | IUPAC digitized pKa | 1 » 0 |
| 5.05 | IUPAC digitized pKa | 1 » 0 |
| 5.15 | IUPAC digitized pKa | 1 » 0 |