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Homecas113658-85-8

113658-85-8

113658-85-8 structural image
Product Name: PCA 4230
Formula: C21H24N2O7S
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COMPUTED DESCRIPTORS

Molecular Weight 448.5 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 8
Exact Mass 448.13042228 g/mol
Monoisotopic Mass 448.13042228 g/mol
Topological Polar Surface Area 128 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 945
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