314036-23-2
Product Name:
(1-BENZYL-1 H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETIC ACID
Formula:
C16H14N2O2S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >44.8 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 298.4 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 298.07759887 g/mol |
| Monoisotopic Mass | 298.07759887 g/mol |
| Topological Polar Surface Area | 80.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 360 |
| 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 |