Molecule ID: mol25845

SMILES: COc1ccc(Nc2nc(O)nc(NC(C)C)n2)cc1OC

InChI: InChI=1S/C14H19N5O3/c1-8(2)15-12-17-13(19-14(20)18-12)16-9-5-6-10(21-3)11(7-9)22-4/h5-8H,1-4H3,(H3,15,16,17,18,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization