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625855-71-2

625855-71-2 structural image
Product Name: 2-(quinolin-2-ylthio)propanoic acid
Formula: C12H11NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 233.29 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 233.05104977 g/mol
Monoisotopic Mass 233.05104977 g/mol
Topological Polar Surface Area 75.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 259
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes