303988-18-3
Product Name:
N,N-DIMETHYL-4-[(4-METHYLPHENYL)SULFANYL]-3-NITROBENZENECARBOXAMIDE
Formula:
C16H16N2O3S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 35 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 316.4 g/mol |
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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 |