Molecule ID: mol17252
SMILES: Cn1cc[n+](COCc2ccccc2)c1/C=N/O
InChI: InChI=1S/C13H15N3O2/c1-15-7-8-16(13(15)9-14-17)11-18-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.94 | OCHEM | 1 » 0 |
| 7.94 | Baltruschat ChEMBL | 1 » 0 |
| 7.94 | Baltruschat ChEMBL | 1 » 0 |
| 7.94 | Baltruschat ChEMBL | 1 » 0 |