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77-12-3

77-12-3 structural image
Product Name: Pentacynium chloride
Formula: C27H39Cl2N3O
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COMPUTED DESCRIPTORS

Molecular Weight 492.5 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 10
Exact Mass 491.2470183 g/mol
Monoisotopic Mass 491.2470183 g/mol
Topological Polar Surface Area 36.3 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 520
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 3
Compound Is Canonicalized Yes