5. Computational chemical data
- Molecular Weight:131.17292g/mol
- Molecular Formula:
- Compound Is Canonicalized:True
- XLogP3-AA:
- Exact Mass:131.094628657
- Monoisotopic Mass:131.094628657
- Complexity:101
- Rotatable Bond Count:3
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:3
- Topological Polar Surface Area:63.3
- Heavy Atom Count:9
- 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:1
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