|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
| 974 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.51
|
|
ALOGPS: |
2.53
|
| 0.28 | -1.51 |
6883


 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
2.20
|
|
XLogP: |
2.00
|
|
ALOGPS: |
1.85
|
| 2.2 | 2.2 |
7140

 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
2.36
|
|
XLogP: |
2.10
|
|
ALOGPS: |
2.08
|
| 1.11 | -0.48 |
7189

 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.42
|
|
XLogP: |
1.50
|
|
ALOGPS: |
1.62
|
| 1.42 | 1.35 |
7190
 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
2.36
|
|
XLogP: |
2.10
|
|
ALOGPS: |
2.12
|
| 1.2 | -0.43 |
7422
 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.54
|
|
XLogP: |
1.70
|
|
ALOGPS: |
1.72
|
| 1.54 | 1.54 |
8070

 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
2.36
|
|
XLogP: |
2.10
|
|
ALOGPS: |
2.03
|
| 0.8 | -0.62 |
| 8072 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.96
|
|
ALOGPS: |
1.57
|
| 1.96 | 1.96 |
8174
 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.39
|
|
XLogP: |
1.50
|
|
ALOGPS: |
1.62
|
| 1.39 | 1.38 |
| 8336 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.72
|
|
ALOGPS: |
1.59
|
| 1.72 | 1.72 |
8394
 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.45
|
|
XLogP: |
0.10
|
| 1.45 | 1.45 |
9879
 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.88
|
|
XLogP: |
1.60
|
|
ALOGPS: |
2.11
|
| 1.88 | 1.88 |
10238
 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.45
|
|
XLogP: |
0.10
|
| 1.45 | 1.45 |
10944
 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.01
|
|
XLogP: |
1.30
|
| 1 | 0.56 |
| 11081 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.65
|
|
ALOGPS: |
1.62
|
| 1.65 | 1.65 |
15686
 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
0.67
|
|
XLogP: |
0.90
|
| 0.67 | 0.67 |
28969
 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.56
|
|
XLogP: |
1.80
|
|
ALOGPS: |
1.59
|
| 1.56 | 1.56 |
| 28984 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
1.70
|
|
ALOGPS: |
1.64
|
| 1.7 | 1.7 |
55144
 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
2.07
|
|
XLogP: |
2.20
|
|
ALOGPS: |
1.62
|
| 2.07 | 2.01 |
| 55170 |
| C8H8O2 | 136.1479 | 136.052429 |
|
ACD/LogP: |
2.30
|
|
XLogP: |
0.80
|
|
ALOGPS: |
1.52
|
| 2.3 | 2.3 |
|