Computational_Chemistry:
|
['1 . XlogP -18 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 23 ', '6 . TPSA 104 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 202 ', '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 1']
|
More_Info:
|
['1 . Appearance 无味的White 晶体状粉末 ', '2 . Density(g/mL,20℃)176 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)172-173 ', '5 . Boiling point(ºC,Atmospheric pressure)385 ', '6 . Boiling point(ºC,KPa)Unknow ', '7 . Refractive index185º(C=5,H2O) ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)19 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(Pa,20ºC)Unknow ', '12 . Saturated vapor pressure(KPa,25ºC)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 -275 ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 易Soluble in Water ,略Soluble in 甲醇,微Soluble in Ethanol ']
|