Molecule ID: mol26681

SMILES: Cc1cc2cc3cc(C)c(N)cc3nc2cc1N

InChI: InChI=1S/C15H15N3/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16/h3-7H,16-17H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.00 AttenGpKa training set 2 » 1
0.50 AttenGpKa training set 2 » 1
8.90 AttenGpKa training set 1 » 0
10.30 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization