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34378-65-9

34378-65-9 structural image
Product Name: METHOTREXATE DIMETHYL ESTER
Formula: C22H26N8O5
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COMPUTED DESCRIPTORS

Molecular Weight 482.5 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 11
Exact Mass 482.20261596 g/mol
Monoisotopic Mass 482.20261596 g/mol
Topological Polar Surface Area 189 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 735
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes