| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
7621

 |
| C6H12O | 100.1589 | 100.088815 |
|
ACD/LogP: |
1.25
|
|
XLogP: |
1.50
|
|
ALOGPS: |
1.31
|
| 1.25 | 1.25 |
| 121992 |
| C6H7D5O | 105.1897 | 105.120199 |
|
ACD/LogP: |
1.25
|
|
XLogP: |
1.50
|
| 1.25 | 1.25 |