Chemistry Reference
In-Depth Information
Table 1
(continued)
Name
Structure
MW
Log D
Undissociated form (%)
Log K
ow
pKa
PSA
(Å
2
)
HBD
pH
pH
pH
pH
pH
pH
5.0
6.5
8.0
5.0
6.5
8.0
3,5-Dichlorosalicylic acid (p)
207.01
1.11
1.03
1.03
16.7
0.6
0.0
4.18
1.99
57.53
2
Trifluoroethyl salicylate (q)
220.15
3.89
3.87
3.46
100
100
99.9
3.89
7.77
46.53
1
3,5-Dichloroanthranilic acid (r)
206.03
2.34
0.99
0.45
98.4
66.6
5.9
3.57
4.20
63.32
3
2,6-Dichloroisonicotinic acid (s)
192
-0.06
-0.83
-0.91
40.1
2.1
0.1
2.24
2.63
50.19
1
Acibenzolar-S-methyl (t)
210.28
2.74
2.74
2.74
NA
NA
NA
2.74
NA
96.39
0
1,2,3-Benzothiadiazole-7-carboxylic acid (u)
180.18
-1.94
-2.04
-2.04
0.3
0.0
0.0
1.11
1.35
91.32
1
All predictions were computed with ACD Log D Sol Suite v.12.02 software. MW Molecular Weight; PSA Polar Surface Area; HBD Hydrogen Bond Donors;
NA Non Available
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