Molecule ID: mol20251

SMILES: Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(C[C@@H](O)CO)C2

InChI: InChI=1S/C25H28N4O4/c1-15(2)32-23-7-5-17(10-19(23)11-26)25-27-24(28-33-25)22-6-4-18-12-29(13-20(31)14-30)9-8-21(18)16(22)3/h4-7,10,15,20,30-31H,8-9,12-14H2,1-3H3/t20-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization