4. Computational chemical data
- Molecular Weight: 350.86500g/mol
- Molecular Formula:
- Compound Is Canonicalized: True
- XLogP3-AA:
- Exact Mass: 350.1179395
- Monoisotopic Mass: 350.1179395
- Complexity: 347
- Rotatable Bond Count: 9
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Topological Polar Surface Area: 112
- Heavy Atom Count: 22
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
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