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157809-85-3

157809-85-3 structural image
Product Name: 1-(2-CHLOROPHENYL)-N-(1-METHYLPROPYL)-ISOQUINOLINE-3-CARBOXAMIDE
Formula: C20H19ClN2O
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COMPUTED DESCRIPTORS

Molecular Weight 338.8 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 338.1185909 g/mol
Monoisotopic Mass 338.1185909 g/mol
Topological Polar Surface Area 42 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 430
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes