Molecule ID: mol3587
SMILES: CCC(C)N1CCC(c2ccccc2)(c2ccccc2)CC1
InChI: InChI=1S/C21H27N/c1-3-18(2)22-16-14-21(15-17-22,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18H,3,14-17H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.67 | IUPAC digitized pKa | 1 » 0 |
| 9.67 | OCHEM | 1 » 0 |
| 9.67 | QSARToolbox | 1 » 0 |