Molecule ID: mol15389
SMILES: CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
InChI: InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.27 | QSARToolbox | 1 » 0 |
| 7.27 | Datawarrior | 1 » 0 |
| 7.27 | OCHEM | 1 » 0 |
| 8.13 | OCHEM | 1 » 0 |
| 8.16 | Baltruschat ChEMBL | 1 » 0 |
| 8.19 | AttenGpKa training set | 1 » 0 |
| 8.21 | OCHEM | 1 » 0 |