Molecule ID: mol18328

SMILES: O=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1

InChI: InChI=1S/C20H17ClN4O/c21-16-4-1-3-14(11-16)17-7-6-15(12-24-17)19-5-2-10-25(19)20(26)18-13-22-8-9-23-18/h1,3-4,6-9,11-13,19H,2,5,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization