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610258-80-5

610258-80-5 structural image
Product Name: 3-(1-PYRIDIN-4-YL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)PROPANOIC ACID
Formula: C17H18N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >42.4 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 282.34 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 282.136827821 g/mol
Monoisotopic Mass 282.136827821 g/mol
Topological Polar Surface Area 53.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 355
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