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7114-81-0

7114-81-0 structural image
Product Name: 4-IsoquinolinecarboxaMide
Formula: C10H8N2O
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COMPUTED DESCRIPTORS

Molecular Weight 172.18 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 172.063662883 g/mol
Monoisotopic Mass 172.063662883 g/mol
Topological Polar Surface Area 56 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 205
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