Molecule ID: mol16307

SMILES: CNc1nc2[nH]c(-c3cccc(CNC(=O)COC)n3)cc2c2c1ncn2C

InChI: InChI=1S/C19H21N7O2/c1-20-19-16-17(26(2)10-22-16)12-7-14(24-18(12)25-19)13-6-4-5-11(23-13)8-21-15(27)9-28-3/h4-7,10H,8-9H2,1-3H3,(H,21,27)(H2,20,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.50 Baltruschat ChEMBL 3 » 2
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Charge States and Microspecies Visualization