IUPAC name
methyl (αE)-2-[[[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]oxy]methyl]-α-(methoxymethylene)benzeneacetate
SMILES
CO/C=C(\c1ccccc1COc1cccc(C(F)(F)F)n1)/C(=O)OC
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
picoxystrobin
IUPAC name
methyl (αE)-2-[[[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]oxy]methyl]-α-(methoxymethylene)benzeneacetate
SMILES
CO/C=C(\c1ccccc1COc1cccc(C(F)(F)F)n1)/C(=O)OC
INCHI
InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+
FORMULA
C18H16F3NO4
Common name
picoxystrobin
IUPAC name
methyl (αE)-2-[[[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]oxy]methyl]-α-(methoxymethylene)benzeneacetate
Molecular weight
367.319
clogP
4.212
clogS
-4.756
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
57.65
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00304 | phenylmethanol |
|
c1(ccccc1)CO | 0.0168 |
| FDBF04222 | 2-methoxypyridine |
|
O(C)c1ncccc1 | 0.0017 |
| FDBF04993 | 3H-pyridin-2-one |
|
O=C1N=CC=CC1 | 0.0027 |
| FDBF05480 | 2-(trifluoromethyl)pyridine |
|
C(F)(F)(F)c1ncccc1 | 0.0014 |
| FDBF06730 | (1E)-1-methoxy-3-(methyl-λ3-oxidanylidene)prop-1-en-1-ol |
|
C/[O]=C/C=C(O)/OC | 0.0024 |
| FDBF07432 | 6-(trifluoromethyl)-3H-pyridin-2-one |
|
O=C1N=C(C(F)(F)F)C=CC1 | 0.0003 |
| FDBF07434 | 2-methoxy-6-(trifluoromethyl)pyridine |
|
O(C)c1nc(C(F)(F)F)ccc1 | 0.0003 |
12 ,
2
