4. Computational chemical data
- Molecular Weight: 226.29400g/mol
- Molecular Formula: C14H22N2O3S
- Compound Is Canonicalized: True
- XLogP3-AA:
- Exact Mass: 226.04523611
- Monoisotopic Mass: 226.04523611
- Complexity: 289
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 45.3
- Heavy Atom Count: 16
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1