Molecule ID: mol272
SMILES: O=S(=O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1
InChI: InChI=1S/C20H25NO3S/c22-19-6-8-20(9-7-19)25(23,24)15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | OCHEM | 1 » 0 |
| 6.80 | Settimo | 1 » 0 |
| 6.80 | AttenGpKa training set | 1 » 0 |