Molecule ID: mol18331

SMILES: Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1

InChI: InChI=1S/C21H19ClN4O/c1-14-10-18(15-4-2-5-16(22)11-15)25-12-17(14)20-6-3-9-26(20)21(27)19-13-23-7-8-24-19/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization