|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
| 1234 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
2.40
|
|
XLogP: |
1.50
|
|
ALOGPS: |
0.43
|
| 0.6 | -1.02 |
| 99129 |
| C14H19NO5S | 313.3694 | 313.098393 |
| | |
| 169269 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
1.77
|
|
XLogP: |
2.00
|
| | |
| 303543 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
3.79
|
|
XLogP: |
2.30
|
| | |
| 419967 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
2.07
|
|
XLogP: |
1.60
|
| | |
484750
 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
1.77
|
|
XLogP: |
2.00
|
| 1.77 | 1.77 |
| 567153 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
2.73
|
|
XLogP: |
1.60
|
| 0.83 | |
| 590370 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
4.26
|
|
XLogP: |
1.80
|
| 4.26 | 4.26 |
| 641337 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
4.08
|
|
XLogP: |
2.00
|
| 4.08 | 4.08 |
| 644561 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
3.13
|
|
XLogP: |
2.00
|
| 1.37 | 0.09 |
| 644563 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
3.20
|
|
XLogP: |
1.90
|
| 1.44 | 0.16 |
| 644743 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
2.48
|
|
XLogP: |
1.30
|
| | |
| 662113 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
3.24
|
|
XLogP: |
1.20
|
| 2.22 | 0.41 |
| 662174 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
3.18
|
|
XLogP: |
1.40
|
| 2.21 | 0.41 |
662278
 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
3.06
|
|
XLogP: |
1.90
|
| 1.66 | 0.15 |
| 681861 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
2.99
|
|
XLogP: |
2.00
|
| 1.59 | 0.07 |
| 723021 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
3.18
|
|
XLogP: |
1.20
|
| 2.21 | 0.41 |
| 724645 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
3.35
|
|
XLogP: |
1.10
|
| 3.35 | 3.35 |
| 762866 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
4.08
|
|
XLogP: |
2.00
|
| 4.08 | 4.08 |
| 775403 |
| C14H19NO5S | 313.3694 | 313.098393 |
|
ACD/LogP: |
3.49
|
|
XLogP: |
1.50
|
| | |
|