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Molecular_Structure:
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['1疏水参数计算参考值（XlogP）: ', '2氢键供体数量10 ', '3氢键受体数量15 ', '4可旋转化学键数量:8 ', '5互变异构体数量15 ', '6拓扑分子极性表面积（TPSA）:220 ', '7重原子数量37 ', '8表面电荷0 ', '9复杂度286 ', '10同位素原子数量0 ', '11确定原子立构中心数量0 ', '12不确定原子立构中心数量2 ', '13确定化学键立构中心数量0 ', '14不确定化学键立构中心数量0 ', '15共价键单元数量3']
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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）246-248 ', '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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