Molecule ID: mol18150

SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CO)CCC(c1ccccc1)O3

InChI: InChI=1S/C21H23N3O3/c1-13-17(12-25)24-11-16(21(26)23(2)3)15-9-10-18(14-7-5-4-6-8-14)27-19(15)20(24)22-13/h4-8,11,18,25H,9-10,12H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization