Computational_Chemistry:
|
['1. XlogP :75 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :21 ', '4. Rotatable Bond Count :11 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :35 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :776 ', '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 Unknow ', '2. Density(g/mL,25/4℃)1667 ', '3. Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4. Melting point(ºC)Unknow ', '5. Boiling point(ºC,Atmospheric pressure)243 ', '6. Boiling point(ºC,52kPa)Unknow ', '7. Refractive index134 ', '8. Flash point(ºC)>230 ', '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 Unknow ', '17. Upper limit of explosion(%,V/V)Unknow ', '18. Lower limit of explosion(%,V/V)Unknow ', '19. Solubility Unknow']
|