478079-80-0
Product Name:
4-[2-HYDROXY-3-(PHENYLSULFONYL)PROPOXY]BENZENECARBONITRILE
Formula:
C16H15NO4S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 46.6 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 317.4 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 317.07217913 g/mol |
| Monoisotopic Mass | 317.07217913 g/mol |
| Topological Polar Surface Area | 95.8 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 476 |
| 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 |