Molecule ID: mol35443

SMILES: CCCNC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

InChI: InChI=1S/C25H29NO3/c1-5-18-26-25(19-6-12-22(27-2)13-7-19,20-8-14-23(28-3)15-9-20)21-10-16-24(29-4)17-11-21/h6-17,26H,5,18H2,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.70 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization