Molecule ID: mol16106
SMILES: Cc1ccc(Cn2c([C@@H]3CNCCS3)nc3ccccc32)cc1C
InChI: InChI=1S/C20H23N3S/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3/t19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | OCHEM | 1 » 0 |
| 7.50 | Baltruschat ChEMBL | 1 » 0 |