Molecule ID: mol1021
SMILES: CC(C)(C)c1cc(N)cc(C(C)(C)C)c1[N+](=O)[O-]
InChI: InChI=1S/C14H22N2O2/c1-13(2,3)10-7-9(15)8-11(14(4,5)6)12(10)16(17)18/h7-8H,15H2,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.93 | IUPAC digitized pKa | 1 » 0 |
| 2.93 | Datawarrior | 1 » 0 |
| 2.93 | Hunt | 1 » 0 |
| 2.93 | AttenGpKa training set | 1 » 0 |
| 2.93 | QSARToolbox | 1 » 0 |
| 2.93 | OCHEM | 1 » 0 |