|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
| 355033 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
6.54
|
|
XLogP: |
4.60
|
| | |
| 985244 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
5.09
|
|
XLogP: |
3.30
|
| 5.09 | 5.09 |
| 985246 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
5.49
|
|
XLogP: |
3.30
|
| 5.49 | 5.49 |
| 985248 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
5.54
|
|
XLogP: |
3.30
|
| 5.54 | 5.54 |
| 986146 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
4.81
|
|
XLogP: |
3.30
|
| 4.81 | 4.81 |
| 986148 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
5.26
|
|
XLogP: |
3.30
|
| 5.26 | 5.26 |
| 986538 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
5.69
|
|
XLogP: |
3.30
|
| 5.69 | 5.69 |
| 1256609 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
2.18
|
|
XLogP: |
2.60
|
| 2.01 | 0.72 |
| 1367973 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
3.70
|
|
XLogP: |
2.70
|
| 3.7 | 3.7 |
| 1367974 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
3.70
|
|
XLogP: |
2.70
|
| 3.7 | 3.7 |
| 1368499 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
4.83
|
|
XLogP: |
2.80
|
| 4.83 | 4.83 |
| 1368500 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
4.83
|
|
XLogP: |
2.80
|
| 4.83 | 4.83 |
| 1368501 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
4.83
|
|
XLogP: |
2.80
|
| 4.83 | 4.83 |
| 1368502 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
4.83
|
|
XLogP: |
2.80
|
| 4.83 | 4.83 |
| 1492130 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
2.18
|
|
XLogP: |
2.60
|
| | |
| 1824432 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
6.11
|
|
XLogP: |
5.30
|
| | |
| 1840302 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
5.41
|
|
XLogP: |
3.70
|
| 5.41 | 5.41 |
| 2286289 |
| C27H24N2O8S | 536.5531 | 536.125336 |
| 1.38 | 1.38 |
| 2368553 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
3.70
|
|
XLogP: |
2.70
|
| 3.7 | 3.7 |
| 2372223 |
| C27H24N2O8S | 536.5531 | 536.125336 |
|
ACD/LogP: |
4.83
|
|
XLogP: |
2.80
|
| 4.83 | 4.83 |
|