Molecule ID: mol7842

SMILES: CC(C)(C)c1ncc2ccccc2n1

InChI: InChI=1S/C12H14N2/c1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11/h4-8H,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.12 QSARToolbox 1 » 0
4.17 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization