Molecule ID: mol20106

SMILES: CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc3ccccc3c(=O)[nH]2)=N1

InChI: InChI=1S/C27H25ClN4O/c1-27(2)16-18-15-19(28)12-13-20(18)24(32-27)30-23(14-17-8-4-3-5-9-17)25-29-22-11-7-6-10-21(22)26(33)31-25/h3-13,15,23H,14,16H2,1-2H3,(H,30,32)(H,29,31,33)/t23-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization