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Homecas1802552-16-4

1802552-16-4

1802552-16-4 structural image
Product Name: PeMetrexed EP IMpurity C
Formula: C40H40N10O13
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COMPUTED DESCRIPTORS

Molecular Weight 868.8 g/mol
XLogP3 -1.3
Hydrogen Bond Donor Count 12
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 19
Exact Mass 868.27763137 g/mol
Monoisotopic Mass 868.27763137 g/mol
Topological Polar Surface Area 387 Ų
Heavy Atom Count 63
Formal Charge 0
Complexity 1990
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes