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24722-90-5

24722-90-5 structural image
Product Name: 1-PYRENEISOTHIOCYANATE
Formula: C17H9NS
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COMPUTED DESCRIPTORS

Molecular Weight 259.3 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 259.04557046 g/mol
Monoisotopic Mass 259.04557046 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 400
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