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815650-88-5

815650-88-5 structural image
Product Name: 2-(4-chlorophenoxy)-1-(1,4-diazepan-1-yl)ethan-1-one
Formula: C13H17ClN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 268.74 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 268.0978555 g/mol
Monoisotopic Mass 268.0978555 g/mol
Topological Polar Surface Area 41.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 268
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