Molecule ID: mol18535

SMILES: Clc1cccc(Cl)c1CO/N=C/C1CCN(CCCc2ccccc2)CC1

InChI: InChI=1S/C22H26Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,19H,5,8,11-15,17H2/b25-16+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization