IUPAC name
2,3,4,5,6-pentachlorophenyl dodecanoate
SMILES
CCCCCCCCCCCC(=O)Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
pentachlorophenyl laurate
IUPAC name
2,3,4,5,6-pentachlorophenyl dodecanoate
SMILES
CCCCCCCCCCCC(=O)Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
INCHI
InChI=1S/C18H23Cl5O2/c1-2-3-4-5-6-7-8-9-10-11-12(24)25-18-16(22)14(20)13(19)15(21)17(18)23/h2-11H2,1H3
FORMULA
C18H23Cl5O2
Common name
pentachlorophenyl laurate
IUPAC name
2,3,4,5,6-pentachlorophenyl dodecanoate
Molecular weight
448.639
clogP
8.872
clogS
-9.478
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
26.3
Number of Rings
1
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00061 | butyric acid |
|
CCCC(=O)O | 0.0131 |
| FDBF00062 | pentanoic acid |
|
CCCCC(=O)O | 0.0079 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00086 | hexane |
|
CCCCCC | 0.0151 |
8 ,
1
