Molecule ID: mol19813

SMILES: C[C@]1(c2cc(NC(=O)c3cnc(Cl)cn3)ccc2F)N=C(N)CO[C@]1(F)C(F)(F)F

InChI: InChI=1S/C17H13ClF5N5O2/c1-15(16(20,17(21,22)23)30-7-13(24)28-15)9-4-8(2-3-10(9)19)27-14(29)11-5-26-12(18)6-25-11/h2-6H,7H2,1H3,(H2,24,28)(H,27,29)/t15-,16+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.90 OCHEM 1 » 0
6.90 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization