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85426-79-5

85426-79-5 structural image
Product Name: 4-CHLORO-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Formula: C6H5ClN4S
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COMPUTED DESCRIPTORS

Molecular Weight 200.65 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 199.9923450 g/mol
Monoisotopic Mass 199.9923450 g/mol
Topological Polar Surface Area 79.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 170
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