Physicochemical Descriptors
| Property Name |
Value
|
|
| Molecular Formula |
C16H18N2O4S |
| Molecular Weight |
334.4 |
| AlogP |
0.86 |
| Hydrogen Bond Acceptor |
4.0 |
| Hydrogen Bond Donor |
2.0 |
| Number of Rotational Bond |
4.0 |
| Polar Surface Area |
86.71 |
| Molecular species |
None |
| Aromatic Rings |
1.0 |
| Heavy Atoms |
23.0 |
Experimental and Estimated Properties
| Property Name |
Value
|
Unit |
Method |
|
| log P (octanol-water) |
1.83 |
- |
EXP |
| pKa Dissociation Constant |
2.74 |
- |
EXP |
| Henry's Law Constant |
1.16E-14 |
atm-m3/mole |
EST |
| Atmospheric OH Rate Constant |
6.97E-11 |
cm3/molecule-sec |
EST |
| Water Solubility |
210 |
mg/L |
EST |
| Vapor Pressure |
2.55E-12 |
mm Hg |
EST |
Related Entries
