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396717-24-1

396717-24-1 structural image
Product Name: 4-ISOQUINOLIN-3-YL-BUTYRONITRILE
Formula: C13H12N2
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COMPUTED DESCRIPTORS

Molecular Weight 196.25 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 196.100048391 g/mol
Monoisotopic Mass 196.100048391 g/mol
Topological Polar Surface Area 36.7 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 240
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