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1644287-26-2

1644287-26-2 structural image
Product Name: Pemetrexed Impurity 1
Formula: C20H21N5O8
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COMPUTED DESCRIPTORS

Molecular Weight 459.4 g/mol
XLogP3 -1.8
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 9
Exact Mass 459.13901265 g/mol
Monoisotopic Mass 459.13901265 g/mol
Topological Polar Surface Area 216 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 943
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes