Molecule ID: mol3756
SMILES: Cc1ccnc(-c2cc(C)ccn2)c1
InChI: InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.02 | OCHEM | 1 » 0 |
| 5.32 | IUPAC digitized pKa | 1 » 0 |
| 5.32 | Datawarrior | 1 » 0 |
| 5.32 | OCHEM | 1 » 0 |
| 5.32 | OCHEM | 1 » 0 |
| 5.32 | QSARToolbox | 1 » 0 |
| 5.32 | QSARToolbox | 1 » 0 |
| 5.32 | OCHEM | 1 » 0 |