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16227-10-4

16227-10-4 structural image
Product Name: 4-Butyl-4H-1,2,4-triazole
Formula: C6H11N3
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COMPUTED DESCRIPTORS

Molecular Weight 125.17 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 125.095297364 g/mol
Monoisotopic Mass 125.095297364 g/mol
Topological Polar Surface Area 30.7 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 68.7
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes