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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