Molecule ID: mol18160

SMILES: Cc1nc2c3c(c(C(=O)N4CC(O)C4)cn2c1C)CCC(c1ccccc1)O3

InChI: InChI=1S/C22H23N3O3/c1-13-14(2)25-12-18(22(27)24-10-16(26)11-24)17-8-9-19(15-6-4-3-5-7-15)28-20(17)21(25)23-13/h3-7,12,16,19,26H,8-11H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization