Molecule ID: mol16795

SMILES: Cn1c(=N)n(CCCCCCCCCCCCn2c(=N)n(C)c3ccccc32)c2ccccc21

InChI: InChI=1S/C28H40N6/c1-31-23-17-11-13-19-25(23)33(27(31)29)21-15-9-7-5-3-4-6-8-10-16-22-34-26-20-14-12-18-24(26)32(2)28(34)30/h11-14,17-20,29-30H,3-10,15-16,21-22H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization