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331856-86-1

331856-86-1 structural image
Product Name: 2-AMINO-7-METHYL-5-OXO-4-(2-THIENYL)-4,6,7,8-TETRAHYDRO2H-CHROMENE-3-CARBONITRILE
Formula: C15H14N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 286.4 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 286.07759887 g/mol
Monoisotopic Mass 286.07759887 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 570
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes