Molecule ID: mol2937

SMILES: Cc1ncccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C

InChI: InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.18 Novartis 1 » 0
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Charge States and Microspecies Visualization