Computational_Chemistry:
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['1. XlogP :-45 ', '2. Hydrogen Bond Donor Count :6 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :4 ', '6. TPSA 160 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :389 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '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 White 结晶性粉末 ', '2 . Density(g/mL,25/4℃)1441 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)192-195 (dec)(lit) ', '5 . Boiling point(ºC,Atmospheric pressure)不确定 ', '6 . Boiling point(ºC, 52kPa)不确定 ', '7 . Refractive index-17 ° (C=2, H2O) ', '8 . Flash point(ºC)不确定 ', '9 . Specific rotation(º)-165 º (c=2, H2O) ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 . Vapor pressure(kPa,25ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility Soluble in Water (50mg/mL)稀醇液氨and N-二甲基甲酰胺,Insoluble in Ethanol 醚and 丙酮']
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