Molecule ID: mol32224

SMILES: Cc1nc(OC(F)F)ccc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O

InChI: InChI=1S/C16H17ClF2N4O2/c1-8-11(5-6-13(20-8)25-16(18)19)21-14-15(24)23(7-12(17)22-14)9(2)10-3-4-10/h5-7,9-10,16H,3-4H2,1-2H3,(H,21,22)/t9-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization