|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
441
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
3.03
|
|
XLogP: |
3.40
|
|
ALOGPS: |
3.19
|
| 3.03 | 3.03 |
7534
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.32
|
|
XLogP: |
2.30
|
|
ALOGPS: |
2.69
|
| 2.32 | 2.32 |
7802

 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.50
|
|
XLogP: |
2.70
|
|
ALOGPS: |
2.54
|
| 2.5 | 2.5 |
11032
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.50
|
|
XLogP: |
2.40
|
|
ALOGPS: |
2.57
|
| 2.5 | 2.5 |
11710
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.32
|
|
XLogP: |
2.30
|
|
ALOGPS: |
2.45
|
| 2.32 | 2.32 |
| 12241 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.47
|
|
XLogP: |
2.50
|
|
ALOGPS: |
2.53
|
| 2.47 | 2.47 |
12983
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.32
|
|
XLogP: |
2.70
|
|
ALOGPS: |
2.38
|
| 2.32 | 2.32 |
| 13261 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.41
|
|
XLogP: |
2.50
|
|
ALOGPS: |
2.93
|
| 2.41 | 2.41 |
13859
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.36
|
|
XLogP: |
2.50
|
|
ALOGPS: |
2.45
|
| 2.36 | 2.36 |
15112
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.13
|
|
XLogP: |
2.10
|
|
ALOGPS: |
2.26
|
| 2.13 | 2.13 |
15213
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.41
|
|
XLogP: |
2.10
|
|
ALOGPS: |
2.59
|
| 2.41 | 2.41 |
17121
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.78
|
|
XLogP: |
2.90
|
|
ALOGPS: |
3.23
|
| 2.78 | 2.78 |
17778
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.64
|
|
XLogP: |
2.70
|
| 2.64 | 2.64 |
18443
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.36
|
|
XLogP: |
2.20
|
|
ALOGPS: |
2.52
|
| 2.36 | 2.36 |
19315
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.40
|
|
XLogP: |
2.70
|
|
ALOGPS: |
2.67
|
| 2.4 | 2.4 |
19533
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.44
|
|
XLogP: |
2.10
|
| 2.44 | 2.44 |
20139
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.33
|
|
XLogP: |
1.90
|
|
ALOGPS: |
2.09
|
| 2.32 | 2.32 |
20168
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
3.17
|
|
XLogP: |
3.30
|
| 3.17 | 3.17 |
20286
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.33
|
|
XLogP: |
2.30
|
|
ALOGPS: |
2.31
|
| 2.32 | 2.32 |
20860
 |
| C8H16O | 128.212 | 128.120115 |
|
ACD/LogP: |
2.67
|
|
XLogP: |
3.40
|
|
ALOGPS: |
3.05
|
| 2.67 | 2.67 |
|