5. Computational chemical data
- Molecular Weight:158.10774g/mol
- Molecular Formula:C10H9ClN2O
- Compound Is Canonicalized:True
- XLogP3-AA:
- Exact Mass:157.90842477
- Monoisotopic Mass:157.90842477
- Complexity:82.6
- Rotatable Bond Count:0
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:4
- Topological Polar Surface Area:104
- Heavy Atom Count:7
- 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:3
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