|
Computational_Chemistry:
|
['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 784 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :128 ', '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:
|
['1 . Appearance Solid ', '2 . Density（g/mL25 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）287 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，01hPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） ', '11 Unknow ', '12 . Vapor pressure（hPa,20 ºC）Unknow ', '13 . Saturated vapor pressure（kPa,60ºC）Unknow ', '14 . Combustion heat（KJ/mol）Unknow ', '15 . Critical temperature（ºC）Unknow ', '16 . Critical pressure（KPa）Unknow ', '17 . Oil-water（正Octanol /Water ）Logarithmic Value of Distribution Coefficient 0639 ', '18 . Upper limit of explosion（%,V/V）Unknow ', '19 . Lower limit of explosion（%,V/V）Unknow ', '20 . Solubility Unknow']
|
