Molecule ID: mol163
SMILES: CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
InChI: InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | OCHEM | 1 » 0 |
| 7.85 | OCHEM | 1 » 0 |
| 7.85 | Baltruschat ChEMBL | 1 » 0 |
| 7.85 | Settimo | 1 » 0 |
| 7.85 | Settimo | 1 » 0 |