Molecule ID: mol14776
SMILES: c1cc(N2CCCC2)c2c(N3CCCC3)cccc2c1
InChI: InChI=1S/C18H22N2/c1-2-12-19(11-1)16-9-5-7-15-8-6-10-17(18(15)16)20-13-3-4-14-20/h5-10H,1-4,11-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.97 | Datawarrior | 1 » 0 |
| 9.97 | AttenGpKa training set | 1 » 0 |
| 9.97 | QSARToolbox | 1 » 0 |
| 9.97 | OCHEM | 1 » 0 |