Molecule ID: mol8121

SMILES: CC(=O)N1CCN(C(C)=O)c2c(N(C)C)nc(N(C)C)nc21

InChI: InChI=1S/C14H22N6O2/c1-9(21)19-7-8-20(10(2)22)13-11(19)12(17(3)4)15-14(16-13)18(5)6/h7-8H2,1-6H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization