IUPAC name
2-[4-[(6-chloro-2-benzothiazolyl)oxy]phenoxy]propanoic acid
SMILES
CC(C(=O)O)Oc1ccc(cc1)Oc1nc2ccc(cc2s1)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
fenthiaprop
IUPAC name
2-[4-[(6-chloro-2-benzothiazolyl)oxy]phenoxy]propanoic acid
SMILES
CC(C(=O)O)Oc1ccc(cc1)Oc1nc2ccc(cc2s1)Cl
INCHI
InChI=1S/C16H12ClNO4S/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)
FORMULA
C16H12ClNO4S
Common name
fenthiaprop
IUPAC name
2-[4-[(6-chloro-2-benzothiazolyl)oxy]phenoxy]propanoic acid
Molecular weight
349.789
clogP
4.303
clogS
-4.295
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
96.89
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 |
| FDBF03150 | (2S)-2-hydroxypropanoic acid |
|
C(O)(C)C(=O)O | 0.0069 |
| FDBF03947 | (2S)-2-phenoxypropanoic acid |
|
O(c1ccccc1)C(C)C(=O)O | 0.0034 |
6 ,
1
