Molecule ID: mol16241

SMILES: CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)nc2C)c1C

InChI: InChI=1S/C20H28N2O2/c1-8-17(9-2)23-18-11-14(5)22-20(15(18)6)24-19-12(3)10-13(4)21-16(19)7/h10-11,17H,8-9H2,1-7H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization