|
Computational_Chemistry:
|
['1 . XlogP ', '2 . Hydrogen Bond Donor Count 9 ', '3 . Hydrogen Bond Acceptor Count 17 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count 5 ', '6 . TPSA 268 ', '7 . Heavy Atom Count 59 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1730 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 19 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 2']
|
|
More_Info:
|
['1 . Appearance 粉末 ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）212-217 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，1mm hg）Unknow ', '7 . Refractive index49 ° (C=15, EtOH) ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºC）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']
|
