| Entry |
|
|---|
| Name |
Fipronil (JAN) |
|---|
| Formula |
C12H4Cl2F6N4OS
|
|---|
| Exact mass |
435.9387
|
|---|
| Mol weight |
437.15
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Insecticide, GABA-gated chloride channel inhibitor |
|---|
| Comment |
Phenylpyrazole derivative
|
|---|
| Target |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C8y C 33.5433 -14.0903
2 C8y C 33.9769 -15.4215
3 N5x N 32.8398 -16.2434
4 N4y N 31.7027 -15.4215
5 C8y C 32.1432 -14.0903
6 C8x C 28.0687 -16.1196
7 C8y C 28.0687 -17.5198
8 C8x C 29.2850 -18.2233
9 C8y C 30.4873 -17.5198
10 C8y C 30.4873 -16.1196
11 C8y C 29.2850 -15.4230
12 X Cl 29.2718 -14.0228
13 C1d C 26.8513 -18.2164
14 X F 25.6341 -18.9059
15 X Cl 31.6922 -18.2233
16 C3b C 35.1821 -16.1125
17 N3a N 36.4274 -16.7388
18 N1a N 31.1434 -13.0871
19 S4a S 34.2323 -12.8760
20 C1d C 35.6254 -12.8689
21 X F 37.0255 -12.8689
22 O3c O 33.2331 -11.8768
23 X F 27.5438 -19.4327
24 X F 26.1588 -17.0001
25 X F 35.6219 -11.4800
26 X F 35.6289 -14.2800
BOND 27
1 1 2 1
2 7 13 1
3 2 3 2
4 3 4 1
5 4 5 1
6 13 14 1
7 5 1 2
8 9 15 1
9 6 7 2
10 2 16 1
11 7 8 1
12 16 17 3
13 8 9 2
14 5 18 1
15 9 10 1
16 1 19 1
17 10 11 2
18 19 20 1
19 11 6 1
20 10 4 1
21 20 21 1
22 11 12 1
23 19 22 2
24 13 23 1
25 13 24 1
26 20 25 1
27 20 26 1
|
|---|
