5. Computational chemical data
- Molecular Weight:199.24688g/mol
- Molecular Formula:C11H12N4
- Compound Is Canonicalized:True
- XLogP3-AA:0.6
- Exact Mass:199.12084340
- Monoisotopic Mass:199.12084340
- Complexity:232
- Rotatable Bond Count:2
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:3
- Topological Polar Surface Area:46.6
- Heavy Atom Count:14
- 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
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