Molecule ID: mol2954

SMILES: N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F

InChI: InChI=1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.00 Novartis 1 » 0
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Charge States and Microspecies Visualization