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871307-18-5

871307-18-5 structural image
Product Name: 4-[(3-Chloro-4-fluorophenyl)amino]-6-[(3-pyridinylmethyl)amino]-1,7-naphthyridine-3-carbonitrile
Formula: C21H14ClFN6
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COMPUTED DESCRIPTORS

Molecular Weight 404.8 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 404.0952503 g/mol
Monoisotopic Mass 404.0952503 g/mol
Topological Polar Surface Area 86.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 585
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