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53689-10-4

53689-10-4 structural image
Product Name: 2-[3-[Bis(2-chloroethyl)aMino]propyl]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one
Formula: C13H18Cl2N4O
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COMPUTED DESCRIPTORS

Molecular Weight 317.21 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 8
Exact Mass 316.0857666 g/mol
Monoisotopic Mass 316.0857666 g/mol
Topological Polar Surface Area 39.2 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 430
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes