| ID | Structure | Empirical Formula | Molecular Weight | Monoisotopic Mass, Da | LogP | ACD/LogD (pH 5.5) | ACD/LogD (pH 7.4) |
7679

 |
| C6H10O | 98.143 | 98.073165 |
|
ACD/LogP: |
0.76
|
|
XLogP: |
0.90
|
|
ALOGPS: |
1.03
|
| 0.76 | 0.76 |
| 8164804 |
| C6H9TO | 100.1511 | 100.081389 |
|
ACD/LogP: |
0.76
|
|
XLogP: |
0.90
|
| | |
| 8686221 |
| 13C6H10O | 104.0989 | 104.093294 |
| | |
| 10299665 |
| C6H8D2O | 100.1553 | 100.085718 |
| 0.76 | 0.76 |
| 21170739 |
| C6D10O | 108.2046 | 108.135932 |
| 0.76 | 0.76 |
| 21171460 |
| C6H6D4O | 102.1676 | 102.098272 |
| 0.76 | 0.76 |