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385406-13-3

385406-13-3 structural image
Product Name: 4-[5-(4-BROMOPHENYL)-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-4-OXOBUTANOIC ACID
Formula: C19H17BrN2O3
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COMPUTED DESCRIPTORS

Molecular Weight 401.3 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 400.04225 g/mol
Monoisotopic Mass 400.04225 g/mol
Topological Polar Surface Area 70 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 523
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes