Computational_Chemistry:
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['1. XlogP :4 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :7 ', '6. TPSA 952 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :404 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '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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['一物性数据 ', '1 . Appearance 黄White 结晶性粉末,无臭,无味。 ', '2 . Density(g/mL,25/4℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)225~230 ', '5 . Boiling point(ºC,067kpaor 5 mmHg)不确定 ', '6 . Refractive index不确定 ', '7 . Flash point(ºC)不确定 ', '8 . Specific rotation(ºC)不确定 ', '9 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '10 . Vapor pressure(kPa,25ºC)不确定 ', '11 . Saturated vapor pressure(kPa,60ºC)不确定 ', '12 . Combustion heat(KJ/mol)不确定 ', '13 . Critical temperature(ºC)不确定 ', '14 . Critical pressure(KPa)不确定 ', '15 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion(%,V/V)不确定 ', '17 . Lower limit of explosion(%,V/V)不确定 ', '18 . Solubility Insoluble in Water ,Soluble in 热 Ethanol 氯仿。']
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