Molecule ID: mol17557

SMILES: CN(C)CCNC(=O)c1cccc2c(N)c3cccc(Cl)c3nc12

InChI: InChI=1S/C18H19ClN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.87 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization