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949147-44-8

949147-44-8 structural image
Product Name: p-SCN-Bn-PCTA
Formula: C25H29N5O6S
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COMPUTED DESCRIPTORS

Molecular Weight 527.6 g/mol
XLogP3 -4.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 9
Exact Mass 527.18385484 g/mol
Monoisotopic Mass 527.18385484 g/mol
Topological Polar Surface Area 179 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 832
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