Molecule ID: mol21593

SMILES: CCCN1CCN(c2ccccc2C(N)=O)CC1

InChI: InChI=1S/C14H21N3O/c1-2-7-16-8-10-17(11-9-16)13-6-4-3-5-12(13)14(15)18/h3-6H,2,7-11H2,1H3,(H2,15,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization