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13093-87-3

13093-87-3 structural image
Product Name: Benzylpenillic acid
Formula: C16H18N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 334.4 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 334.09872823 g/mol
Monoisotopic Mass 334.09872823 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 542
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes