Computational_Chemistry:
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['1 . Hydrogen Bond Donor Count 2 ', '2 . Hydrogen Bond Acceptor Count 15 ', '3 . Rotatable Bond Count 10 ', '4 . Isotope Atom Count 5 ', '5 . TPSA 251 ', '6 . Heavy Atom Count 51 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1150 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 5']
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More_Info:
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['1 . Appearance 红棕色结晶性粉末 ', '2 . Densityd(g/mL,25/4℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting pointmp(ºC)210 ', '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)不确定 ', '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 易Soluble in Water ']
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