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99128-91-3

99128-91-3 structural image
Product Name: NT2 purpurin
Formula: C41H52N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 632.9 g/mol
XLogP3 9.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 11
Exact Mass 632.40902691 g/mol
Monoisotopic Mass 632.40902691 g/mol
Topological Polar Surface Area 83.7 Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1110
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

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