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Computational_Chemistry:
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['1 . XlogP -38 ', '2 . Hydrogen Bond Donor Count 5 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 6 ', '6 . TPSA 118 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 147 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 3 ', '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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['1 晶相相标准. Combustion heat(焓)(kJ·mol-1)-28046 ', '2 晶相标准声称热(焓)( kJ·mol-1)-12715 ', '3 相对. Density（20℃，4℃）161217 ', '4 . Melting pointmp（ºC）165 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling pointbp（ºC,24mm）不确定 ', '7 . Refractive index不确定 ', '8 . Flash pointfp（ºC）不确定 ', '9 . Specific rotation（º）43 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
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