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31645-94-0

31645-94-0 structural image
Product Name: 1-(3-METHYL-4H-1,4-BENZOTHIAZIN-2-YL)ETHAN-1-ONE
Formula: C11H11NOS
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COMPUTED DESCRIPTORS

Molecular Weight 205.28 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 205.05613515 g/mol
Monoisotopic Mass 205.05613515 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 285
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