|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
170
 |
| C2H3O2 | 59.0446 | 59.013853 |
| -1.07 | -2.86 |
171
 |
| C2H4O2 | 60.052 | 60.021129 |
|
ACD/LogP: |
-0.29
|
|
XLogP: |
-0.10
|
|
ALOGPS: |
-0.12
|
| -1.07 | -2.86 |
| 120608 |
| C2HD3O2 | 63.0704 | 63.03996 |
|
ACD/LogP: |
-0.29
|
|
XLogP: |
-0.10
|
| -1.07 | -2.86 |
| 144444 |
| C14CH4O2 | 62.0445 | 62.02437 |
| | |
387881
 |
| C2H5O2 | 61.0594 | 61.028406 |
| | |
| 396650 |
| C11CH3O2 | 58.0453 | 58.025286 |
| | |
| 396651 |
| C11CH4O2 | 59.0527 | 59.032562 |
| | |
| 396652 |
| C11CH3O2 | 58.0453 | 58.025286 |
| | |
| 396653 |
| C11CH4O2 | 59.0527 | 59.032562 |
| | |
| 2006082 |
| C2H3DO2 | 61.0581 | 61.027406 |
|
ACD/LogP: |
-0.29
|
|
XLogP: |
-0.10
|
| -1.07 | -2.86 |
| 2006083 |
| C2D4O2 | 64.0766 | 64.046236 |
|
ACD/LogP: |
-0.29
|
|
XLogP: |
-0.10
|
| -1.07 | -2.86 |
| 5288475 |
| C2H3TO2 | 62.0601 | 62.029354 |
|
ACD/LogP: |
-0.29
|
|
XLogP: |
-0.10
|
| -1.07 | -2.86 |
| 8329490 |
| C13CH4O2 | 61.0446 | 61.024484 |
| | |
| 9063081 |
| C2H2DTO2 | 63.0662 | 63.03563 |
|
ACD/LogP: |
-0.29
|
|
XLogP: |
-0.10
|
| -1.07 | -2.86 |
| 9357652 |
| 13C2H4O2 | 62.0373 | 62.027839 |
| | |
| 9553364 |
| 14C2H4O2 | 64.037 | 64.027611 |
| | |
| 17339808 |
| C13CD4O2 | 65.0693 | 65.049591 |
| | |
| 17341075 |
| C2H418O2 | 64.0515 | 64.02962 |
| | |
| 17341230 |
| C2H417O2 | 62.0514 | 62.029562 |
| | |
| 21171080 |
| C13CH4O2 | 61.0446 | 61.024484 |
| | |
|