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478043-93-5

478043-93-5 structural image
Product Name: N-(4-CYANO-3-METHYL-5-ISOXAZOLYL)-2-THIOPHENECARBOXAMIDE
Formula: C10H7N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 233.25 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 233.02589765 g/mol
Monoisotopic Mass 233.02589765 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 327
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