Molecule ID: mol16791

SMILES: N=c1ncc(-c2ccccc2)cn1CCCCCCCCCCCCn1cc(-c2ccccc2)cnc1=N

InChI: InChI=1S/C32H40N6/c33-31-35-23-29(27-17-11-9-12-18-27)25-37(31)21-15-7-5-3-1-2-4-6-8-16-22-38-26-30(24-36-32(38)34)28-19-13-10-14-20-28/h9-14,17-20,23-26,33-34H,1-8,15-16,21-22H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization