Molecule ID: mol14769

SMILES: Oc1ccccc1CN1CCCNCCCNCCC1

InChI: InChI=1S/C16H27N3O/c20-16-7-2-1-6-15(16)14-19-12-4-10-17-8-3-9-18-11-5-13-19/h1-2,6-7,17-18,20H,3-5,8-14H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.64 QSARToolbox 3 » 2
6.64 Datawarrior 3 » 2
9.87 OCHEM 1 » 0
9.87 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization