Molecule ID: mol16794

SMILES: N=c1n(CCCCCCCCCCCCn2c(=N)n(Cc3ccccc3)c3ccccc32)c2ccccc2n1Cc1ccccc1

InChI: InChI=1S/C40H48N6/c41-39-43(35-25-15-17-27-37(35)45(39)31-33-21-11-9-12-22-33)29-19-7-5-3-1-2-4-6-8-20-30-44-36-26-16-18-28-38(36)46(40(44)42)32-34-23-13-10-14-24-34/h9-18,21-28,41-42H,1-8,19-20,29-32H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization