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1081139-61-8

1081139-61-8 structural image
Product Name: N-(1-phenylethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula: C14H12F3N5
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COMPUTED DESCRIPTORS

Molecular Weight 307.27 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 307.10447989 g/mol
Monoisotopic Mass 307.10447989 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 372
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes