|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
| 34781 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
5.02
|
|
XLogP: |
4.40
|
| 1.97 | 2.95 |
| 34788 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
5.06
|
|
XLogP: |
4.20
|
| 2.2 | 3.72 |
| 34803 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
4.81
|
|
XLogP: |
4.40
|
|
ALOGPS: |
5.03
|
| 1.72 | 2.19 |
| 34809 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
4.98
|
|
XLogP: |
4.20
|
| 2.12 | 3.64 |
47142
 |
| C21H32N2O3 | 360.4904 | 360.241293 |
| -1.87 | -1.87 |
| 51401 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
4.01
|
|
XLogP: |
4.30
|
|
ALOGPS: |
3.76
|
| 1.11 | 2.58 |
| 51402 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
3.90
|
|
XLogP: |
4.30
|
|
ALOGPS: |
3.70
|
| 0.85 | 1.84 |
| 108286 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
2.48
|
|
XLogP: |
3.30
|
| -0.57 | 0.45 |
| 169465 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
2.50
|
|
XLogP: |
3.80
|
| | |
| 179263 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
2.26
|
|
XLogP: |
2.30
|
| | |
204218
 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
2.68
|
|
XLogP: |
1.40
|
| | |
| 475897 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
3.94
|
|
XLogP: |
4.30
|
| 3.94 | 3.94 |
| 504132 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
3.01
|
|
XLogP: |
3.40
|
| 3.01 | 3.01 |
| 537908 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
3.96
|
|
XLogP: |
4.40
|
| 3.96 | 3.96 |
| 569176 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
3.26
|
|
XLogP: |
3.70
|
| 0.17 | 0.33 |
| 570277 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
3.08
|
|
XLogP: |
3.40
|
| | 0.2 |
| 914005 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
2.75
|
|
XLogP: |
2.70
|
| 0.36 | 2.07 |
| 914006 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
2.75
|
|
XLogP: |
2.70
|
| 0.36 | 2.07 |
| 914007 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
2.75
|
|
XLogP: |
2.90
|
| 0.36 | 2.07 |
| 914021 |
| C21H32N2O3 | 360.4904 | 360.241293 |
|
ACD/LogP: |
2.75
|
|
XLogP: |
2.70
|
| 0.46 | 2.16 |
|