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52454-37-2

52454-37-2 structural image
Product Name: 10-deazaaminopterin
Formula: C20H21N7O5
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COMPUTED DESCRIPTORS

Molecular Weight 439.4 g/mol
XLogP3 -1.3
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 9
Exact Mass 439.16041680 g/mol
Monoisotopic Mass 439.16041680 g/mol
Topological Polar Surface Area 207 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 673
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes