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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :3 ', '6. TPSA 180 ', '7. Heavy Atom Count :31 ', '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 :3 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
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Molecular_Structure:
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['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 465054925 Da ', '8. Nominal mass 465 Da ', '9. Average mass 4652838 Da']
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