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Computational_Chemistry:
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['1 . XlogP -24 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 7 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 9 ', '6 . TPSA 134 ', '7 . Heavy Atom Count 17 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 348 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 2 ', '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 Yellow 细小球状结晶。一种蝶呤类色素。对Atmosphere 敏感。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC） Unknow ', '9 . Specific rotation（º）－50°（C=04，1mol/L盐酸中）－26°（C＝092，01mol/L氢氧化钠溶液中）。 ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）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（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 Water 中溶解度20℃时07mg/ml，90℃时4mg/ml。 Ethanol Ethyl ether 丙酮苯中的溶解度＜01mg/ml。碱溶液中有蓝色荧光。250～280℃时碳化而无. Melting point。']
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