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338954-16-8

338954-16-8 structural image
Product Name: 1-[5-(([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)METHYL)-4,5-DIHYDRO-3-ISOXAZOLYL]-1-ETHANONE OXIME
Formula: C12H12ClF3N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 336.70 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 336.0600878 g/mol
Monoisotopic Mass 336.0600878 g/mol
Topological Polar Surface Area 79.1 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 458
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes