Molecule ID: mol2861

SMILES: COc1ccc(OC)c(CNc2ccc3nc(N)nc(N)c3c2Cl)c1

InChI: InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23)

Experimental Macro pKa Values

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