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Computational_Chemistry:
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['1 . XlogP 4 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 14 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count ', '6 . TPSA 180 ', '7 . Heavy Atom Count 52 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1150 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 18 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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More_Info:
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['一物性数据 ', '1 . Appearance White 结晶。 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）113～115℃ ', '5 . Boiling point（ºC,067kpaor 5 mmHg）不确定 ', '6 . Refractive index不确定 ', '7 . Flash point（ºC）不确定 ', '8 . Specific rotation（ºC）不确定 ', '9 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '10 . Vapor pressure（kPa,25ºC）不确定 ', '11 . Saturated vapor pressure（kPa,60ºC）不确定 ', '12 . Combustion heat（KJ/mol）不确定 ', '13 . Critical temperature（ºC）503 ', '14 . Critical pressure（KPa）不确定 ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion（%,V/V）不确定 ', '17 . Lower limit of explosion（%,V/V）不确定 ', '18 . Solubility 不确定。']
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