Molecule ID: mol20668

SMILES: C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCCOC(N)=N1

InChI: InChI=1S/C18H18ClFN4O2/c1-18(7-2-8-26-17(21)24-18)13-9-12(4-5-14(13)20)23-16(25)15-6-3-11(19)10-22-15/h3-6,9-10H,2,7-8H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.40 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization