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1995065-79-6

1995065-79-6 structural image
Product Name: ROCK2-IN-2
Formula: C18H12N6OS
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COMPUTED DESCRIPTORS

Molecular Weight 360.4 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 360.07933020 g/mol
Monoisotopic Mass 360.07933020 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 485
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