Molecule ID: mol6239
SMILES: NCC(N)c1ccccc1
InChI: InChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6,9-10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.76 | IUPAC digitized pKa | 2 » 1 |
| 7.76 | AttenGpKa training set | 2 » 1 |
| 8.55 | IUPAC digitized pKa | 1 » 0 |
| 8.55 | AttenGpKa training set | 1 » 0 |