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1046-57-7

1046-57-7 structural image
Product Name: 3,5,6-TRI(2-PYRIDYL)-1,2,4-TRIAZINE
Formula: C18H12N6
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >46.8 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 312.3 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 312.11234441 g/mol
Monoisotopic Mass 312.11234441 g/mol
Topological Polar Surface Area 77.3 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 392
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