5. Computational chemical data
- Molecular Weight:157.612g/mol
- Molecular Formula:
- Compound Is Canonicalized:True
- XLogP3-AA:
- Exact Mass:156.9964274
- Monoisotopic Mass:156.9964274
- Complexity:75.3
- Rotatable Bond Count:2
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:4
- Topological Polar Surface Area:64.3
- Heavy Atom Count:8
- Defined Atom Stereocenter Count:1
- Undefined Atom Stereocenter Count:0
- Defined Bond Stereocenter Count:0
- Undefined Bond Stereocenter Count:0
- Isotope Atom Count:0
- Covalently-Bonded Unit Count:2
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