4. Computational chemical data
- Molecular Weight: 1570.84g/mol
- Molecular Formula: C15H16O2
- Compound Is Canonicalized: True
- XLogP3-AA: _3.6
- Exact Mass: 1569.87798128
- Monoisotopic Mass: 1569.87798128
- Complexity: 3110
- Rotatable Bond Count: 51
- Hydrogen Bond Donor Count: 22
- Hydrogen Bond Acceptor Count: 21
- Topological Polar Surface Area: 651
- Heavy Atom Count: 112
- Defined Atom Stereocenter Count: 12
- 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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