Molecule ID: mol20151

SMILES: COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5c(cn4)OCCO5)[C@@H](OC)C3)c2c1

InChI: InChI=1S/C25H31N5O5/c1-32-18-3-4-19-21(12-18)30(25(31)15-28-19)8-7-29-6-5-20(24(16-29)33-2)27-13-17-11-22-23(14-26-17)35-10-9-34-22/h3-4,11-12,14-15,20,24,27H,5-10,13,16H2,1-2H3/t20-,24-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization