Molecule ID: mol34480

SMILES: CC(C)NCC(O)COc1cc(OCC(O)CNC(C)C)c2ccccc2c1

InChI: InChI=1S/C22H34N2O4/c1-15(2)23-11-18(25)13-27-20-9-17-7-5-6-8-21(17)22(10-20)28-14-19(26)12-24-16(3)4/h5-10,15-16,18-19,23-26H,11-14H2,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.33 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization