Molecule ID: mol19358

SMILES: CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

InChI: InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization