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110703-94-1

110703-94-1 structural image
Product Name: Zopolrestat
Formula: C19H12F3N3O3S
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H413:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 419.4 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 419.05514691 g/mol
Monoisotopic Mass 419.05514691 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 702
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