Computational_Chemistry:
|
['1 . XlogP ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 6 ', '6 . TPSA 147 ', '7 . Heavy Atom Count 34 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 962 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 8 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 3']
|
More_Info:
|
['1 . Appearance White or 类White 粉末 ', '2 . Density(g/L,25ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)233-235 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC 18mmHg)Unknow ', '7 . Refractive index(nD20)Unknow ', '8 . Flash point(ºF)Unknow ', '9 . Specific rotation(,)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(Pa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,20ºC)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 Water ']
|