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Computational_Chemistry:
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['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :12 ', '3. Hydrogen Bond Acceptor Count :20 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :640 ', '6. TPSA 348 ', '7. Heavy Atom Count :62 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1550 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :12 ', '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 Yellow 片状结晶。为由右旋配基番泻定A（Sennidin A）与D-葡萄糖组成。在80℃的碳酸氢钠溶液中能缓慢异构化为番泻苷B。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）200～240 ', '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）[α]D20 －164°（C＝01，60%丙酮中）－147°（C＝01，70%丙酮中）－24°（C=02，70%二氧六环中） ', '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 Soluble in 碳酸氢钠Water 溶液，微Soluble in 甲醇二甘醇一 Ethyl ether 丙酮and 二氧六环，Insoluble in Water 苯 Ethyl ether and 氯仿。']
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