Molecule ID: mol16647

SMILES: Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1

InChI: InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization