Molecule ID: mol1959
SMILES: COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1
InChI: InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | OCHEM | 1 » 0 |
| 8.30 | Hunt | 1 » 0 |
| 9.70 | Baltruschat ChEMBL | 1 » 0 |
| 10.00 | Baltruschat ChEMBL | 1 » 0 |