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Computational_Chemistry:
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['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 14 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 183 ', '7 . Heavy Atom Count 52 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1190 ', '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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['1 . Appearance 无臭，味苦的White 结晶性粉末or Colourless 针状结晶 ', '2 . Density（g/mL25 ºC）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）从氯仿一异丙醚(12)得Colourless 针状结晶，. Melting point217～220℃(分解)；or 从 Ethanol 结晶，. Melting point222～225℃ ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC035mmHg）Unknow ', '7 . Refractive index-92 ° (C=1, CHCl3) ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）。[α]{D24-904°(C=1，氯仿)。 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,）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（正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 较易Soluble in 氯仿or 丙酮，微Soluble in Ethanol ， Ethyl ether or 甲醇，几Insoluble in Water ']
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