5. Computational chemical data
- Molecular Weight:397.63346g/mol
- Molecular Formula:
- Compound Is Canonicalized:True
- XLogP3-AA:
- Exact Mass:396.014551
- Monoisotopic Mass:396.014551
- Complexity:405
- Rotatable Bond Count:5
- Hydrogen Bond Donor Count:5
- Hydrogen Bond Acceptor Count:8
- Topological Polar Surface Area:129
- Heavy Atom Count:23
- Defined Atom Stereocenter Count:9
- Undefined Atom Stereocenter Count:0
- Defined Bond Stereocenter Count:0
- Undefined Bond Stereocenter Count:0
- Isotope Atom Count:0
- Covalently-Bonded Unit Count:1
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