Molecular_Structure:
|
['1. Molar refractive index 10481 ', '2. Molar volume 286 ', '3. Parachor (902K)7473 ', '4. Surface tension 465 ', '5. Dielectric constant N/A ', '6. Polarizability 4155 ', '7. Single isotope mass 2115175 Da ', '8. Nominal mass 321 Da ', '9. Average mass 3214144 Da']
|
Computational_Chemistry:
|
['1. XlogP :67 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 12 ', '7. Heavy Atom Count :25 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :328 ', '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']
|