Molecule ID: mol35672

SMILES: CCN1c2cc(C)c(C)cc2N(C)C2=NC(=O)N(C)C(=O)C21O

InChI: InChI=1S/C16H20N4O3/c1-6-20-12-8-10(3)9(2)7-11(12)18(4)13-16(20,23)14(21)19(5)15(22)17-13/h7-8,23H,6H2,1-5H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.90 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization