Molecule ID: mol17551

SMILES: CN(C)CCNC(=O)c1cccc2c(N)c3cc(Cl)ccc3nc12

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization