Molecule ID: mol17630

SMILES: Oc1ccc2c(c1)C1c3cccc[n+]3C2CC1(c1ccoc1)c1ccoc1

InChI: InChI=1S/C23H17NO3/c25-17-4-5-18-19(11-17)22-20-3-1-2-8-24(20)21(18)12-23(22,15-6-9-26-13-15)16-7-10-27-14-16/h1-11,13-14,21-22H,12H2/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.80 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization