Computational_Chemistry:
|
['1. XlogP :-39 ', '2. Hydrogen Bond Donor Count :8 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :3 ', '6. TPSA 204 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :492 ', '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']
|
Molecular_Structure:
|
['1. Molar refractive index 9706 ', '2. Molar volume 3135 ', '3. Parachor (902K)8319 ', '4. Surface tension 495 ', '5. Dielectric constant N/A ', '6. Polarizability 3847 ', '7. Single isotope mass 408222014 Da ', '8. Nominal mass 408 Da ', '9. Average mass 4084473 Da']
|