Computational_Chemistry:
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['1 . XlogP -11 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 108 ', '6 . Heavy Atom Count 17 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 386 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 4 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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More_Info:
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['1 . Appearance 无可用 ', '2 . Density(g/mL,25/4℃) 无可用 ', '3 . Relative vapor density(g/mL,Atmosphere =1)无可用 ', '4 . Melting point(ºC)167 ', '5 . Boiling point(ºC,Atmospheric pressure)无可用 ', '6 . Boiling point(ºC,52kPa) 无可用 ', '7 . Refractive index 80 ° (C=1, MeOH) ', '8 . Flash point(ºC) 无可用 ', '9 . Specific rotation(º,C=1, MeOH) 80 ', '10 . Spontaneous ignition point or ignition temperature(ºC) 无可用 ', '11 . Vapor pressure(kPa,25ºC) 无可用 ', '12 . Saturated vapor pressure(kPa,60ºC) 无可用 ', '13 . Combustion heat(KJ/mol)无可用 ', '14 . Critical temperature(ºC) 无可用 ', '15 . Critical pressure(KPa) 无可用 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion(%,V/V)无可用 ', '18 . Lower limit of explosion(%,V/V) 无可用 ', '19 . Solubility 无可用']
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