Molecule ID: mol19005

SMILES: CN(Cc1ccc(Cl)cc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12

InChI: InChI=1S/C25H23Cl2N3/c1-30(16-18-6-8-21(26)9-7-18)17-20-5-3-2-4-19(20)15-29-24-12-13-28-25-14-22(27)10-11-23(24)25/h2-14H,15-17H2,1H3,(H,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.44 Baltruschat ChEMBL 2 » 1
9.60 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization