Molecule ID: mol8788

SMILES: CCOC(=O)c1ccccc1-c1c2ccc(N(CC)CC)cc2[o+]c2cc(N)c(C)cc12

InChI: InChI=1S/C27H29N2O3/c1-5-29(6-2)18-12-13-21-24(15-18)32-25-16-23(28)17(4)14-22(25)26(21)19-10-8-9-11-20(19)27(30)31-7-3/h8-16H,5-7,28H2,1-4H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.52 IUPAC digitized pKa 2 » 1
5.61 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization