|
Computational_Chemistry:
|
['1. XlogP N/A ', '2. Hydrogen Bond Donor Count 4 ', '3. Hydrogen Bond Acceptor Count 4 ', '4. Rotatable Bond Count 3 ', '5. Isotope Atom Count 3 ', '6. TPSA 922 ', '7. Heavy Atom Count 12 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 108 ', '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 3']
|
|
Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 246010126 Da ', '8. Nominal mass 246 Da ', '9. Average mass 2464408 Da']
|
