IUPAC name
(2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid
SMILES
C[C@H](C(=O)O)Oc1ccc(cc1)Oc1cnc2cc(ccc2n1)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
quizalofop-P
IUPAC name
(2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid
SMILES
C[C@H](C(=O)O)Oc1ccc(cc1)Oc1cnc2cc(ccc2n1)Cl
INCHI
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1
FORMULA
C17H13ClN2O4
Common name
quizalofop-P
IUPAC name
(2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid
Molecular weight
344.749
clogP
3.112
clogS
-4.505
HBond Acceptor
6
HBond Donor
1
Total Polar Surface Area
81.54
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF01337 | benzene-1,4-diol |
|
Oc1ccc(cc1)O | 0.0100 |
| FDBF05905 | (2R)-2-hydroxypropanoic acid |
|
C[C@H](C(=O)O)O | 0.0027 |
| FDBF05907 | (2R)-2-phenoxypropanoic acid |
|
C[C@H](C(=O)O)Oc1ccccc1 | 0.0021 |
| FDBF06276 | 6-chloro-1H-quinoxalin-2-one |
|
O=c1[nH]c2c(nc1)cc(cc2)Cl | 0.0014 |
| FDBF06277 | 6-chloroquinoxaline |
|
c1nc2c(nc1)cc(cc2)Cl | 0.0014 |
8 ,
1
