|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
757
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.22
|
|
XLogP: |
-2.20
|
|
ALOGPS: |
-2.29
|
| -2.28 | -2.28 |
3900
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.41
|
|
XLogP: |
-0.10
|
|
ALOGPS: |
-0.04
|
| -0.48 | 0.36 |
13227
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.01
|
|
XLogP: |
-0.50
|
|
ALOGPS: |
-2.31
|
| -2.49 | -2.5 |
21383
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
-1.78
|
|
XLogP: |
-0.60
|
|
ALOGPS: |
-1.70
|
| -3.35 | -1.94 |
21856
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.16
|
|
XLogP: |
-2.30
|
|
ALOGPS: |
-0.53
|
| -2.33 | -2.35 |
22826
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.38
|
|
XLogP: |
-2.20
|
| -2.11 | -2.13 |
27113
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.41
|
|
XLogP: |
-0.10
|
| -0.48 | 0.36 |
| 79551 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.38
|
|
XLogP: |
-2.20
|
| -2.11 | -2.13 |
82666
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.22
|
|
XLogP: |
-2.20
|
| -2.28 | -2.28 |
| 118632 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.22
|
|
XLogP: |
-2.20
|
| -2.28 | -2.28 |
196235
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.38
|
|
XLogP: |
-2.20
|
|
ALOGPS: |
-2.21
|
| -2.11 | -2.13 |
| 202325 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
-0.30
|
|
XLogP: |
-0.20
|
| | |
| 242947 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
-0.39
|
|
XLogP: |
0.70
|
| | |
268322
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
-0.80
|
|
XLogP: |
-0.10
|
| | |
288859
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.58
|
|
XLogP: |
-2.30
|
|
ALOGPS: |
-2.17
|
| | |
392033
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.41
|
|
XLogP: |
-0.10
|
| -0.48 | 0.36 |
398401
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.47
|
|
XLogP: |
-2.20
|
| | |
| 1266837 |
| C4H9NO2S | 135.1848 | 135.035399 |
| -0.48 | 0.36 |
2074082
 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
0.47
|
|
XLogP: |
-2.20
|
|
ALOGPS: |
-1.02
|
| -2.03 | -2.04 |
| 2282505 |
| C4H9NO2S | 135.1848 | 135.035399 |
|
ACD/LogP: |
1.29
|
|
XLogP: |
1.10
|
|
ALOGPS: |
0.50
|
| 1.28 | 1.23 |
|