Molecule ID: mol30100

SMILES: CCOc1ccc(N(C)c2ccc(/C=C/C3=[N+](C)c4ccc(C(=O)OC)cc4C3(C)C)cc2)cc1

InChI: InChI=1S/C30H33N2O3/c1-7-35-25-16-14-24(15-17-25)31(4)23-12-8-21(9-13-23)10-19-28-30(2,3)26-20-22(29(33)34-6)11-18-27(26)32(28)5/h8-20H,7H2,1-6H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.46 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization