Molecule ID: mol4711

SMILES: Cc1nc2nc(N)nc(OCc3ccccc3)c2nc1C

InChI: InChI=1S/C15H15N5O/c1-9-10(2)18-13-12(17-9)14(20-15(16)19-13)21-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,16,18,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.90 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization