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131365-81-6

131365-81-6 structural image
Product Name: (SPIRO[5,5-(1,2,3,4-TETRAHYDRONAPTHALENE)])-2-PHENYL-1,2,4-TRIAZOLAN-3-ONE
Formula: C17H17N3O
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COMPUTED DESCRIPTORS

Molecular Weight 279.34 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 279.137162174 g/mol
Monoisotopic Mass 279.137162174 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 407
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes