Molecule ID: mol29572

SMILES: c1ccc2c(c1)CCCC2C1=NCCN1

InChI: InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization