Molecule ID: mol17253
SMILES: Cn1cc[n+](COCCCc2ccccc2)c1/C=N/O
InChI: InChI=1S/C15H19N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.05 | OCHEM | 1 » 0 |
| 8.05 | Baltruschat ChEMBL | 1 » 0 |
| 8.05 | Baltruschat ChEMBL | 1 » 0 |
| 8.06 | Baltruschat ChEMBL | 1 » 0 |