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25131-60-6

25131-60-6 structural image
Product Name: 2-ISOQUINOLINIUM-2-YL-1-PHENYLETHAN-1-ONE BROMIDE
Formula: C17H14BrNO
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >49.2 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 328.2 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 327.02588 g/mol
Monoisotopic Mass 327.02588 g/mol
Topological Polar Surface Area 21 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 308
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 2
Compound Is Canonicalized Yes