Molecule ID: mol8101

SMILES: CN(C)c1nc2c(c(N(C)C)n1)N(C(=O)c1ccccc1)CCN2

InChI: InChI=1S/C17H22N6O/c1-21(2)15-13-14(19-17(20-15)22(3)4)18-10-11-23(13)16(24)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,18,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization