Molecule ID: mol19770

SMILES: CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CO)c1ccccc1)C1CCN(C2CC2)CC1

InChI: InChI=1S/C27H31F2N3O2/c1-30(22-11-13-31(14-12-22)23-8-9-23)26(34)32-17-19(24-15-21(28)7-10-25(24)29)16-27(32,18-33)20-5-3-2-4-6-20/h2-7,10,15-16,22-23,33H,8-9,11-14,17-18H2,1H3/t27-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.50 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization