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940764-92-1

940764-92-1 structural image
Product Name: 2-(cyclohexylamino)-5-nitrobenzonitrile
Formula: C13H15N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 245.28 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 245.116426730 g/mol
Monoisotopic Mass 245.116426730 g/mol
Topological Polar Surface Area 81.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 338
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