Molecule ID: mol26708

SMILES: CC(C)Cc1ccc2c(O)c3ccccc3nc2n1

InChI: InChI=1S/C16H16N2O/c1-10(2)9-11-7-8-13-15(19)12-5-3-4-6-14(12)18-16(13)17-11/h3-8,10H,9H2,1-2H3,(H,17,18,19)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.90 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization