Molecule ID: mol5070
SMILES: Cc1ccc2ccc3c(C)nccc3c2n1
InChI: InChI=1S/C14H12N2/c1-9-3-4-11-5-6-12-10(2)15-8-7-13(12)14(11)16-9/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | IUPAC digitized pKa | 2 » 1 |
| 2.00 | IUPAC digitized pKa | 2 » 1 |
| 2.15 | IUPAC digitized pKa | 2 » 1 |
| 2.36 | IUPAC digitized pKa | 2 » 1 |
| 4.75 | IUPAC digitized pKa | 1 » 0 |
| 4.90 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | IUPAC digitized pKa | 1 » 0 |
| 5.12 | IUPAC digitized pKa | 1 » 0 |