Computational_Chemistry:
|
['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :102 ', '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']
|
More_Info:
|
['一物性数据 ', '. Appearance White to 浅Yellow 结晶 ', '. Density(g/mL,25/4℃)不可用 ', '. Relative vapor density(g/mL,Atmosphere =1)不可用 ', '. Melting point(ºC)不可用 ', '. Boiling point(ºC,Atmospheric pressure)不可用 ', '. Boiling point(ºC,52kPa)不可用 ', '. Refractive index153-1532 ', '. Flash point(ºC)不可用 ', '. Specific rotation(º)不可用 ', '. Spontaneous ignition point or ignition temperature(ºC)不可用 ', '. Vapor pressure(kPa,25ºC)不可用 ', '. Saturated vapor pressure(kPa,60ºC)不可用 ', '. Combustion heat(KJ/mol)不可用 ', '. Critical temperature(ºC)不可用 ', '. Critical pressure(KPa)不可用 ', '. Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion(%,V/V)不可用 ', '. Lower limit of explosion(%,V/V)不可用 ', '. Solubility 几乎Insoluble in Water ,Soluble in Ethanol and 丙酮']
|