Molecule ID: mol16325

SMILES: Cc1nnc(C(C)C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1

InChI: InChI=1S/C27H39F2N5O/c1-19(2)25-32-31-20(3)34(25)23-11-16-33(17-12-23)18-13-24(21-7-5-4-6-8-21)30-26(35)22-9-14-27(28,29)15-10-22/h4-8,19,22-24H,9-18H2,1-3H3,(H,30,35)/t24-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization