5. Computational chemical data
- Molecular Weight:189.21g/mol
- Molecular Formula:C5H14ClNO
- Compound Is Canonicalized:True
- XLogP3-AA:0.9
- Exact Mass:189.10010796
- Monoisotopic Mass:189.10010796
- Complexity:207
- Rotatable Bond Count:4
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:4
- Topological Polar Surface Area:75.6
- Heavy Atom Count:13
- 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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