Computational_Chemistry:
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['1 . XlogP -59 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 15 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 280 ', '7 . Heavy Atom Count 29 ', '8 . Topological Polar Surface Area -4 ', '9 . Complexity 827 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 4 ', '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 Liquid ', '2 . Density(g/mL20 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)215-218 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC035mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(º F)>230 ', '9 . Specific rotation(º)Unknow ', '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 H2O: 50 mg/mL,(Colourless 透明),在Water 中易溶,在 Ethyl ether 氯仿等有机溶剂中极微溶解。']
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