Molecule ID: mol35578

SMILES: CC1=NN(c2nc(C)c(C)c(Nc3ccc(C)cc3)n2)C(=O)C1

InChI: InChI=1S/C17H19N5O/c1-10-5-7-14(8-6-10)19-16-12(3)13(4)18-17(20-16)22-15(23)9-11(2)21-22/h5-8H,9H2,1-4H3,(H,18,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization