Molecule ID: mol20441

SMILES: CNCCc1ccc2c(c1)N=C(N)[C@]1(F)CCC[C@H]21

InChI: InChI=1S/C15H20FN3/c1-18-8-6-10-4-5-11-12-3-2-7-15(12,16)14(17)19-13(11)9-10/h4-5,9,12,18H,2-3,6-8H2,1H3,(H2,17,19)/t12-,15+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.90 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization