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114601-31-9

114601-31-9 structural image
Product Name: Cyano temozolomide
Formula: C6H4N6O
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COMPUTED DESCRIPTORS

Molecular Weight 176.14 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 0
Exact Mass 176.04465877 g/mol
Monoisotopic Mass 176.04465877 g/mol
Topological Polar Surface Area 86.6 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 316
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