|
Computational_Chemistry:
|
['1 . XlogP ', '2 . Hydrogen Bond Donor Count 7 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 4 ', '6 . TPSA 136 ', '7 . Heavy Atom Count 28 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 590 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 4 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 4']
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/cm3 25 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC，19mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（°）302 ', '8 . Flash point（℉）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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (g/L 20 ºC)Water Unknow']
|
