Molecule ID: mol4801

SMILES: Cc1nc2ncnc(N(C)C)c2nc1C

InChI: InChI=1S/C10H13N5/c1-6-7(2)14-9-8(13-6)10(15(3)4)12-5-11-9/h5H,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.82 IUPAC digitized pKa 1 » 0
4.84 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization