Molecule ID: mol8412
SMILES: CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1
InChI: InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | AttenGpKa training set | 1 » 0 |
| 9.70 | IUPAC digitized pKa | 1 » 0 |