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952800-38-3

952800-38-3 structural image
Product Name: 6,7-DIHYDROPYRIDO[2',3'-4,5]THIENO[2,3-D]PYRIDAZINE-5,8-DIONE
Formula: C9H5N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 219.22 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 219.01024758 g/mol
Monoisotopic Mass 219.01024758 g/mol
Topological Polar Surface Area 99.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 323
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