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856667-80-6

856667-80-6 structural image
Product Name: Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methyl-
Formula: C22H17FN6O2
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COMPUTED DESCRIPTORS

Molecular Weight 416.4 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 416.13970197 g/mol
Monoisotopic Mass 416.13970197 g/mol
Topological Polar Surface Area 97.3 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 656
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