Molecule ID: mol18141

SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC(c1ccccc1F)O3

InChI: InChI=1S/C21H22FN3O2/c1-12-13(2)25-11-16(21(26)24(3)4)14-9-10-18(27-19(14)20(25)23-12)15-7-5-6-8-17(15)22/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
6.78 OCHEM 1 » 0
6.78 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization