Computational_Chemistry:
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['1 . XlogP ', '2 . Hydrogen Bond Donor Count 9 ', '3 . Hydrogen Bond Acceptor Count 13 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 168 ', '6 . TPSA 204 ', '7 . Heavy Atom Count 35 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1000 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 6 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 1 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 3']
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More_Info:
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['1 . Appearance Yellow 结晶性粉末 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)181-182 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,39mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºF)Unknow ', '9 . Specific rotation(º)-216 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,25ºC)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 微Soluble in Water ']
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