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866245-96-7

866245-96-7 structural image
Product Name: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-hydroxyphenyl)-5-propyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Formula: C21H20ClN3O3
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COMPUTED DESCRIPTORS

Molecular Weight 397.9 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 397.1193192 g/mol
Monoisotopic Mass 397.1193192 g/mol
Topological Polar Surface Area 89.4 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 579
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