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338403-24-0

338403-24-0 structural image
Product Name: 4-[(4-CHLOROANILINO)METHYLENE]-2-[4-(TRIFLUOROMETHOXY)PHENYL]-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
Formula: C18H10ClF6N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 449.7 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 449.0365732 g/mol
Monoisotopic Mass 449.0365732 g/mol
Topological Polar Surface Area 53.9 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 693
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