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39222-69-0

39222-69-0 structural image
Product Name: 3-(2-AMINO-PHENYLAMINO)-5,5-DIMETHYL-CYCLOHEX-2-ENONE
Formula: C14H18N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >34.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 230.31 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 230.141913202 g/mol
Monoisotopic Mass 230.141913202 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 333
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