Molecule ID: mol18159

SMILES: Cc1nc2c3c(c(C(=O)NC4CC4)cn2c1C)CCC(c1ccccc1)O3

InChI: InChI=1S/C22H23N3O2/c1-13-14(2)25-12-18(22(26)24-16-8-9-16)17-10-11-19(15-6-4-3-5-7-15)27-20(17)21(25)23-13/h3-7,12,16,19H,8-11H2,1-2H3,(H,24,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization