Molecule ID: mol4682
SMILES: Cc1ccc2c(c1)NCCN2
InChI: InChI=1S/C9H12N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6,10-11H,4-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.03 | QSARToolbox | 2 » 1 |
| 2.03 | IUPAC digitized pKa | 2 » 1 |
| 2.03 | Datawarrior | 2 » 1 |
| 4.97 | OCHEM | 1 » 0 |
| 4.97 | IUPAC digitized pKa | 1 » 0 |
| 4.97 | Datawarrior | 1 » 0 |