Molecule ID: mol18378

SMILES: CC(C)c1cc(Nc2ccc(C#N)c(Cl)c2)ncc1C(=O)NCC1CCOCC1

InChI: InChI=1S/C22H25ClN4O2/c1-14(2)18-10-21(27-17-4-3-16(11-24)20(23)9-17)25-13-19(18)22(28)26-12-15-5-7-29-8-6-15/h3-4,9-10,13-15H,5-8,12H2,1-2H3,(H,25,27)(H,26,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization