Molecule ID: mol26173

SMILES: C=CC(CC(C)(C)C(C)(C)C)c1ccc2cccnc2c1O

InChI: InChI=1S/C20H27NO/c1-7-14(13-20(5,6)19(2,3)4)16-11-10-15-9-8-12-21-17(15)18(16)22/h7-12,14,22H,1,13H2,2-6H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.61 AttenGpKa training set 1 » 0
9.93 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization