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1214694-25-3

1214694-25-3 structural image
Product Name: 3-(4-CYANOPHENYL)-2-[(PHENYLSULFONYL)AMINO]PROPANOIC ACID
Formula: C16H14N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 330.4 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 330.06742811 g/mol
Monoisotopic Mass 330.06742811 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 546
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