| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
| 5199 |
| C16H20O6P2S3 | 466.4689 | 465.98972 |
|
ACD/LogP: |
5.96
|
|
XLogP: |
6.50
|
|
ALOGPS: |
5.47
|
| 5.96 | 5.96 |
| 13861486 |
| C16H20O6P2S3 | 466.4689 | 465.98972 |
| 5.96 | 5.96 |
| 16496206 |
| C16H20O6P2S3 | 466.4689 | 465.98972 |
| 1.41 | 1.34 |