Molecule ID: mol12222
SMILES: COc1cccc(C=NCCN=Cc2cccc(OC)c2O)c1O
InChI: InChI=1S/C18H20N2O4/c1-23-15-7-3-5-13(17(15)21)11-19-9-10-20-12-14-6-4-8-16(24-2)18(14)22/h3-8,11-12,21-22H,9-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | IUPAC digitized pKa | 2 » 1 |
| 4.40 | IUPAC digitized pKa | 1 » 0 |
| 7.80 | IUPAC digitized pKa | 0 » -1 |
| 10.90 | IUPAC digitized pKa | -1 » -2 |