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857415-55-5

857415-55-5 structural image
Product Name: 4(3H)-Pyrimidinone, 2-(methylthio)-6-(2-phenylethyl)-
Formula: C13H14N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 246.33 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 246.08268425 g/mol
Monoisotopic Mass 246.08268425 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 343
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