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330567-93-6

330567-93-6 structural image
Product Name: (((2,3-DIMETHYL-5-OXO-1-PHENYL-3-PYRAZOLIN-4-YL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE
Formula: C15H13N5O
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COMPUTED DESCRIPTORS

Molecular Weight 279.30 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 279.11201006 g/mol
Monoisotopic Mass 279.11201006 g/mol
Topological Polar Surface Area 83.2 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 576
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