Molecule ID: mol3376
SMILES: Cc1cc(C)c(C)c(N)c1C
InChI: InChI=1S/C10H15N/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,11H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | IUPAC digitized pKa | 1 » 0 |
| 4.30 | Datawarrior | 1 » 0 |
| 4.30 | OCHEM | 1 » 0 |
| 4.30 | AttenGpKa training set | 1 » 0 |
| 4.30 | QSARToolbox | 1 » 0 |
| 4.30 | OCHEM | 1 » 0 |