Molecule ID: mol18140

SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC(c1ccc(F)cc1)O3

InChI: InChI=1S/C21H22FN3O2/c1-12-13(2)25-11-17(21(26)24(3)4)16-9-10-18(27-19(16)20(25)23-12)14-5-7-15(22)8-6-14/h5-8,11,18H,9-10H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization