Molecule ID: mol4486
SMILES: Nc1ccc2[nH]c(Cc3ccccc3)nc2c1
InChI: InChI=1S/C14H13N3/c15-11-6-7-12-13(9-11)17-14(16-12)8-10-4-2-1-3-5-10/h1-7,9H,8,15H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | IUPAC digitized pKa | 2 » 1 |
| 3.30 | Datawarrior | 2 » 1 |
| 6.40 | IUPAC digitized pKa | 1 » 0 |
| 6.40 | Datawarrior | 1 » 0 |
| 6.40 | OCHEM | 1 » 0 |
| 6.40 | OCHEM | 1 » 0 |