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Computational_Chemistry:
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['1 . XlogP 06 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 可旋转化学键数1 ', '5 . Isotope Atom Count 6 ', '6 . TPSA 129 ', '7 . Heavy Atom Count 29 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 893 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 7 ', '12 . Undefined Atom Stereocenter Count 3 ', '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 Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）280 ', '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）Unknow ', '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 Unknow']
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