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71074-44-7

71074-44-7 structural image
Product Name: methotrexate-gamma-dimethylamide
Formula: C22H27N9O4
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COMPUTED DESCRIPTORS

Molecular Weight 481.5 g/mol
XLogP3 -1.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 9
Exact Mass 481.21860038 g/mol
Monoisotopic Mass 481.21860038 g/mol
Topological Polar Surface Area 194 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 746
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

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