5. Computational chemical data
- Molecular Weight:821.142g/mol
- Molecular Formula:C17H36
- Compound Is Canonicalized:True
- XLogP3-AA:
- Exact Mass:820.8803
- Monoisotopic Mass:820.8803
- Complexity:653
- Rotatable Bond Count:12
- Hydrogen Bond Donor Count:8
- Hydrogen Bond Acceptor Count:9
- Topological Polar Surface Area:200
- Heavy Atom Count:34
- Defined Atom Stereocenter Count:0
- Undefined Atom Stereocenter Count:3
- Defined Bond Stereocenter Count:0
- Undefined Bond Stereocenter Count:0
- Isotope Atom Count:0
- Covalently-Bonded Unit Count:1
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