IUPAC name
nonanoic acid
SMILES
CCCCCCCCC(=O)O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pelargonic acid
IUPAC name
nonanoic acid
SMILES
CCCCCCCCC(=O)O
INCHI
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
FORMULA
C9H18O2
Common name
pelargonic acid
IUPAC name
nonanoic acid
Molecular weight
158.238
clogP
2.199
clogS
-2.462
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
37.3
Number of Rings
0
Rotatable Bond
7
| 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
