Molecule ID: mol19624

SMILES: O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2ccccc2)CC1

InChI: InChI=1S/C25H30N4O2/c30-23-25(13-6-9-20-8-4-5-12-22(20)25)26-24(31)29(23)15-7-14-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h1-5,8,10-12H,6-7,9,13-19H2,(H,26,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization