Molecule ID: mol18162

SMILES: Cc1nc2c3c(c(C(=O)N4CCC4)cn2c1C)CCC(c1ccccc1)O3

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization