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946387-04-8

946387-04-8 structural image
Product Name: 3-(TERT-BUTYL)-4-(3-(4-NITROPHENYL)PROP-2-ENYLIDENE)-1-PHENYL-2-PYRAZOLIN-5-ONE
Formula: C22H21N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 375.4 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 375.15829154 g/mol
Monoisotopic Mass 375.15829154 g/mol
Topological Polar Surface Area 78.5 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 683
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 2
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes