Molecule ID: mol32226

SMILES: Cc1cc(OC(F)F)nc(C)c1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O

InChI: InChI=1S/C17H19ClF2N4O2/c1-8-6-13(26-17(19)20)21-9(2)14(8)23-15-16(25)24(7-12(18)22-15)10(3)11-4-5-11/h6-7,10-11,17H,4-5H2,1-3H3,(H,22,23)/t10-/m1/s1

Experimental Macro pKa Values

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