Molecule ID: mol36698

SMILES: COc1c(N(C)C)cc(Cc2cnc(N)nc2N)cc1N(C)C(C)=O

InChI: InChI=1S/C17H24N6O2/c1-10(24)23(4)14-8-11(7-13(22(2)3)15(14)25-5)6-12-9-20-17(19)21-16(12)18/h7-9H,6H2,1-5H3,(H4,18,19,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.07 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization