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303988-18-3

303988-18-3 structural image
Product Name: N,N-DIMETHYL-4-[(4-METHYLPHENYL)SULFANYL]-3-NITROBENZENECARBOXAMIDE
Formula: C16H16N2O3S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 35 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 316.4 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 316.08816355 g/mol
Monoisotopic Mass 316.08816355 g/mol
Topological Polar Surface Area 91.4 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 403
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes