Molecule ID: mol8222

SMILES: Cn1c(O)nc2c(c1=O)N=C(c1ccccc1)C(c1ccccc1)N2CCO

InChI: InChI=1S/C21H20N4O3/c1-24-20(27)17-19(23-21(24)28)25(12-13-26)18(15-10-6-3-7-11-15)16(22-17)14-8-4-2-5-9-14/h2-11,18,26H,12-13H2,1H3,(H,23,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.20 IUPAC digitized pKa 2 » 1
8.50 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization