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125628-97-9

125628-97-9 structural image
Product Name: RO 41-0960 COMT IHIBITOR
Formula: C13H8FNO5
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >41.6 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 277.20 g/mol
XLogP3 3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 277.03865052 g/mol
Monoisotopic Mass 277.03865052 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 385
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