|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
2157

 |
| C9H8O4 | 180.1574 | 180.042259 |
|
ACD/LogP: |
1.19
|
|
XLogP: |
1.40
|
|
ALOGPS: |
1.43
|
| -0.8 | -1.89 |
2731
 |
| C22H25NO6 | 399.437 | 399.168188 |
|
ACD/LogP: |
0.92
|
|
XLogP: |
1.50
|
| 0.92 | 0.92 |
|