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39544-74-6

39544-74-6 structural image
Product Name: BENZOTRIPT
Formula: C18H15ClN2O3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >51.4 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 342.8 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 342.0771200 g/mol
Monoisotopic Mass 342.0771200 g/mol
Topological Polar Surface Area 82.2 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 465
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes