Molecule ID: mol20249

SMILES: Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1OCCN(C(CO)CO)C2

InChI: InChI=1S/C25H28N4O5/c1-15(2)33-22-7-5-17(10-19(22)11-26)25-27-24(28-34-25)21-6-4-18-12-29(20(13-30)14-31)8-9-32-23(18)16(21)3/h4-7,10,15,20,30-31H,8-9,12-14H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization