Molecule ID: mol3897

SMILES: CC1=CC(C)=NCCN1

InChI: InChI=1S/C7H12N2/c1-6-5-7(2)9-4-3-8-6/h5,8H,3-4H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization