Molecule ID: mol16423

SMILES: CC1(N)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

InChI: InChI=1S/C16H17FN4O3/c1-16(18)6-20(7-16)14-11(17)4-9-12(22)10(15(23)24)5-21(8-2-3-8)13(9)19-14/h4-5,8H,2-3,6-7,18H2,1H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization