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94640-13-8

94640-13-8 structural image
Product Name: {[3-CYANO-4-(2-FURYL)-5,6,7,8-TETRAHYDROQUINOLIN-2-YL]THIO}ACETIC ACID
Formula: C16H14N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 314.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 314.07251349 g/mol
Monoisotopic Mass 314.07251349 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 464
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes