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1185234-99-4

1185234-99-4 structural image
Product Name: Dantrolene-13C3
Formula: C14H10N4O5
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COMPUTED DESCRIPTORS

Molecular Weight 317.23 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 317.07518394 g/mol
Monoisotopic Mass 317.07518394 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 524
Isotope Atom Count 3
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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