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125498-83-1

125498-83-1 structural image
Product Name: Buspirone Impurity 1 (Lactone of 6-Hydroxy Buspirone)
Formula: C21H31N5O3
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COMPUTED DESCRIPTORS

Molecular Weight 401.5 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 401.24268987 g/mol
Monoisotopic Mass 401.24268987 g/mol
Topological Polar Surface Area 87.7 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 567
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