Molecule ID: mol7901

SMILES: CCc1ncc2ccccc2n1

InChI: InChI=1S/C10H10N2/c1-2-10-11-7-8-5-3-4-6-9(8)12-10/h3-7H,2H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.90 IUPAC digitized pKa 1 » 0
2.90 QSARToolbox 1 » 0
4.50 QSARToolbox 1 » 0
4.51 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization