|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
| 50382 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
4.38
|
|
ALOGPS: |
4.42
|
| 4.38 | 4.38 |
| 863008 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
| 3.88 | 3.44 |
| 926162 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
4.94
|
|
XLogP: |
3.10
|
| 3.27 | 4.73 |
| 953194 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
5.13
|
|
XLogP: |
3.60
|
| 5.13 | 5.13 |
| 968165 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
5.45
|
|
XLogP: |
4.20
|
| 5.44 | 5.43 |
| 1008222 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
5.15
|
|
XLogP: |
3.80
|
| 5.15 | 5.15 |
| 1030256 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
5.12
|
|
XLogP: |
4.20
|
| 5.12 | 5.11 |
| 1051288 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
| 4.4 | 4.4 |
| 1073975 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
4.91
|
|
XLogP: |
3.80
|
| 4.91 | 4.91 |
| 1078688 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
4.30
|
|
XLogP: |
4.90
|
| 4.3 | 4.3 |
| 1107384 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
2.32
|
|
XLogP: |
2.60
|
| 2.32 | 2.32 |
| 1112108 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
5.18
|
|
XLogP: |
5.10
|
| 5.18 | 5.17 |
| 1112431 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
4.46
|
|
XLogP: |
4.80
|
| 3.86 | 2.6 |
| 1112783 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
5.21
|
|
XLogP: |
4.80
|
| 5.21 | 5.19 |
| 1112860 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
4.65
|
|
XLogP: |
4.00
|
| 2.77 | 1.19 |
| 1112861 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
4.65
|
|
XLogP: |
4.00
|
| 2.77 | 1.19 |
| 1127288 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
5.50
|
|
XLogP: |
4.50
|
| 5.5 | 5.49 |
| 1128490 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
5.42
|
|
XLogP: |
4.50
|
| 5.42 | 5.4 |
| 1129601 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
|
ACD/LogP: |
2.32
|
|
XLogP: |
2.60
|
| 2.32 | 2.32 |
| 1141055 |
| C23H19N3O3S2 | 449.5453 | 449.086781 |
| 4.52 | 4.52 |
|