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Computational_Chemistry:
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['1 . XlogP 03 ', '2 . Hydrogen Bond Donor Count 15 ', '3 . Hydrogen Bond Acceptor Count 23 ', '4 . Rotatable Bond Count 16 ', '5 . Isotope Atom Count 1108 ', '6 . TPSA 337 ', '7 . Heavy Atom Count 77 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 2000 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 28 ', '12 . Undefined Atom Stereocenter Count 2 ', '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 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，2mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Insoluble in Ethyl ether 氯仿丙酮苯石油醚等有机溶剂，易Soluble in 含Water 甲醇含Water Ethanol 正丁醇以及温Water 中。']
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