|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
13515
 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
5.05
|
|
XLogP: |
4.60
|
|
ALOGPS: |
4.96
|
| 5.05 | 4.99 |
20267
 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
3.56
|
|
XLogP: |
3.30
|
|
ALOGPS: |
3.09
|
| 3.56 | 3.56 |
| 33620 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
3.22
|
|
XLogP: |
2.80
|
|
ALOGPS: |
2.90
|
| 3.22 | 3.22 |
| 37142 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
4.36
|
|
XLogP: |
4.00
|
|
ALOGPS: |
3.61
|
| 1.22 | 1.21 |
| 39285 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
3.32
|
|
XLogP: |
2.40
|
|
ALOGPS: |
2.05
|
| 3.31 | 3.31 |
| 45363 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
4.58
|
|
XLogP: |
4.60
|
|
ALOGPS: |
4.49
|
| 4.58 | 4.58 |
| 46722 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
4.06
|
|
XLogP: |
3.50
|
|
ALOGPS: |
3.20
|
| 1.9 | 0.48 |
| 46724 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
4.11
|
|
XLogP: |
3.20
|
|
ALOGPS: |
2.77
|
| 3.17 | 1.36 |
| 52064 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
4.78
|
|
XLogP: |
3.50
|
|
ALOGPS: |
3.95
|
| 4.78 | 4.78 |
57745
 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
2.39
|
|
XLogP: |
2.50
|
|
ALOGPS: |
2.90
|
| 1.62 | -0.17 |
69318
 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
3.63
|
|
XLogP: |
3.90
|
| 3.63 | 3.63 |
70677
 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
4.01
|
|
XLogP: |
3.50
|
| 4.01 | 4.01 |
70784
 |
| C14H20O3 | 236.3068 | 236.141244 |
| 4.78 | 4.75 |
72636
 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
5.42
|
|
XLogP: |
5.60
|
| 5.42 | 5.35 |
73169
 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
3.97
|
|
XLogP: |
3.80
|
| 3.97 | 3.97 |
76800
 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
5.15
|
|
XLogP: |
4.60
|
| 4.1 | 2.43 |
| 81321 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
4.06
|
|
XLogP: |
3.10
|
| 4.05 | 4.05 |
93679
 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
3.11
|
|
XLogP: |
2.80
|
| 3.11 | 3.11 |
| 96601 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
2.65
|
|
XLogP: |
3.00
|
| 2.65 | 2.65 |
97905
 |
| C14H20O3 | 236.3068 | 236.141244 |
|
ACD/LogP: |
4.08
|
|
XLogP: |
3.90
|
| 3 | 1.2 |
|