Molecule ID: mol263
SMILES: Cc1cccc(C)c1NC(=O)CCCCCN
InChI: InChI=1S/C14H22N2O/c1-11-7-6-8-12(2)14(11)16-13(17)9-4-3-5-10-15/h6-8H,3-5,9-10,15H2,1-2H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.05 | OCHEM | 1 » 0 |
| 10.05 | Baltruschat ChEMBL | 1 » 0 |
| 10.10 | OCHEM | 1 » 0 |
| 10.10 | Settimo | 1 » 0 |
| 10.10 | AttenGpKa training set | 1 » 0 |