Molecule ID: mol21581

SMILES: CCCN1CCN(c2ccccc2Cl)CC1

InChI: InChI=1S/C13H19ClN2/c1-2-7-15-8-10-16(11-9-15)13-6-4-3-5-12(13)14/h3-6H,2,7-11H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization