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87540-66-7

87540-66-7 structural image
Product Name: 1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylsulfinyl)-3-phenyl-
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COMPUTED DESCRIPTORS

Molecular Weight 322.4 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 322.08883226 g/mol
Monoisotopic Mass 322.08883226 g/mol
Topological Polar Surface Area 79.4 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 442
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