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338413-93-7

338413-93-7 structural image
Product Name: 6-(4-NITROPHENYL)-2-(1H-PYRROL-1-YL)-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBONITRILE
Formula: C18H14N4O2S
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COMPUTED DESCRIPTORS

Molecular Weight 350.4 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 350.08374688 g/mol
Monoisotopic Mass 350.08374688 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 545
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