Molecule ID: mol16786

SMILES: N=c1cc2ccc3ccccc3c2nn1CCCCCCCCCCCCn1nc2c(ccc3ccccc32)cc1=N

InChI: InChI=1S/C36H40N6/c37-33-25-29-21-19-27-15-9-11-17-31(27)35(29)39-41(33)23-13-7-5-3-1-2-4-6-8-14-24-42-34(38)26-30-22-20-28-16-10-12-18-32(28)36(30)40-42/h9-12,15-22,25-26,37-38H,1-8,13-14,23-24H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization