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185333-65-7

185333-65-7 structural image
Product Name: 6-ALLYL-3-METHYL-4-PHENYLISOXAZOLO[3,4-D]PYRIDAZIN-7(6H)-ONE
Formula: C15H13N3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 26.8 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 267.28 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 267.100776666 g/mol
Monoisotopic Mass 267.100776666 g/mol
Topological Polar Surface Area 58.7 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 429
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