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683274-59-1

683274-59-1 structural image
Product Name: 6-(1,4-DIAZEPAN-1-YL)NICOTINONITRILE
Formula: C11H14N4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >30.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 202.26 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 202.121846464 g/mol
Monoisotopic Mass 202.121846464 g/mol
Topological Polar Surface Area 52 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 244
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