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891115-94-9

891115-94-9 structural image
Product Name: 1-(4-NITROPHENYL)-1-(2-THIENYLCARBONYL)THIOSEMICARBAZIDE
Formula: C12H10N4O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 322.4 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 322.01943254 g/mol
Monoisotopic Mass 322.01943254 g/mol
Topological Polar Surface Area 159 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 408
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