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671754-10-2

671754-10-2 structural image
Product Name: 5-(METHYLTHIO)-3-(4-PHENOXYPHENYL)-1H-PYRAZOLE
Formula: C16H14N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 282.4 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 282.08268425 g/mol
Monoisotopic Mass 282.08268425 g/mol
Topological Polar Surface Area 63.2 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 288
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