Molecule ID: mol12276

SMILES: CN1CCCCC1c1ccc(N=Nc2c(O)ccc3ccc(O)cc23)nc1

InChI: InChI=1S/C21H22N4O2/c1-25-11-3-2-4-18(25)15-7-10-20(22-13-15)23-24-21-17-12-16(26)8-5-14(17)6-9-19(21)27/h5-10,12-13,18,26-27H,2-4,11H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.69 IUPAC digitized pKa 2 » 1
7.88 IUPAC digitized pKa 1 » 0
8.88 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization