Molecule ID: mol2049
SMILES: C[C@@H](C=C(c1ccccc1)c1ccccc1)N(C)C
InChI: InChI=1S/C18H21N/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3/t15-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.21 | Hunt | 1 » 0 |
| 9.26 | QSARToolbox | 1 » 0 |