Molecule ID: mol3438
SMILES: CCCCOc1ccc(C(=O)OCCN2CCCCC2)cc1
InChI: InChI=1S/C18H27NO3/c1-2-3-14-21-17-9-7-16(8-10-17)18(20)22-15-13-19-11-5-4-6-12-19/h7-10H,2-6,11-15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.74 | QSARToolbox | 1 » 0 |
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.30 | OCHEM | 1 » 0 |