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Computational_Chemistry:
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['1 . XlogP ', '2 . Hydrogen Bond Donor Count 11 ', '3 . Hydrogen Bond Acceptor Count 31 ', '4 . Rotatable Bond Count 14 ', '5 . Isotope Atom Count 10 ', '6 . TPSA 443 ', '7 . Heavy Atom Count 83 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1120 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 4 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 2 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 13']
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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 598009945 Da ', '8. Nominal mass 598 Da ', '9. Average mass 5985436 Da']
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