|
| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
| 1972 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
2.46
|
|
ALOGPS: |
2.92
|
| 2.46 | 2.43 |
2052
 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
2.72
|
|
XLogP: |
3.70
|
| 2.19 | 1.12 |
| 30909 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
3.00
|
|
XLogP: |
2.20
|
|
ALOGPS: |
2.53
|
| 3 | 2.88 |
33411
 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
2.53
|
|
XLogP: |
3.20
|
| 2.53 | 2.53 |
| 43062 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
1.91
|
|
XLogP: |
2.60
|
| 1.91 | 1.91 |
| 49842 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
1.35
|
|
XLogP: |
3.50
|
| 0.86 | -0.85 |
| 57582 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
2.45
|
|
XLogP: |
2.20
|
| 2.44 | 2.44 |
| 89723 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
3.18
|
|
XLogP: |
2.40
|
| 3.18 | 3.17 |
98091
 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
1.82
|
|
XLogP: |
0.90
|
| -0.42 | -1.3 |
| 100701 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
2.06
|
|
XLogP: |
3.10
|
| -0.58 | -1.08 |
| 107817 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
2.31
|
|
XLogP: |
2.60
|
|
ALOGPS: |
3.06
|
| 2.15 | 0.79 |
114114
 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
1.59
|
|
XLogP: |
1.40
|
| 1.59 | 1.59 |
| 128975 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
1.51
|
|
XLogP: |
2.60
|
| 0.36 | -1.44 |
| 154017 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
4.35
|
|
XLogP: |
3.00
|
| 4.34 | 4.34 |
| 154028 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
3.88
|
|
XLogP: |
3.00
|
| 3.88 | 3.88 |
| 159571 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
2.49
|
|
XLogP: |
2.60
|
| 1.4 | 2.43 |
| 184888 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
2.24
|
|
XLogP: |
2.00
|
| 2.23 | 1.87 |
| 213533 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
2.71
|
|
XLogP: |
3.20
|
| | |
| 223412 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
3.30
|
|
XLogP: |
3.90
|
| | |
| 225146 |
| C18H16N2O3 | 308.3312 | 308.116092 |
|
ACD/LogP: |
1.65
|
|
XLogP: |
2.10
|
| | |
|