Molecule ID: mol4485
SMILES: Nc1cccc2[nH]c(Cc3ccccc3)nc12
InChI: InChI=1S/C14H13N3/c15-11-7-4-8-12-14(11)17-13(16-12)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | IUPAC digitized pKa | 2 » 1 |
| 5.40 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | Datawarrior | 1 » 0 |
| 8.60 | OCHEM | 1 » 0 |