IUPAC name
methyl hydrogen phosphonate compound with 3-(isononyloxy)-1-propanamine (1:1)
SMILES
CCCCCCCCCOCCCN.COP(=O)O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
izopamfos
IUPAC name
methyl hydrogen phosphonate compound with 3-(isononyloxy)-1-propanamine (1:1)
SMILES
CCCCCCCCCOCCCN.COP(=O)O
INCHI
InChI=1S/C12H27NO.CH5O3P/c1-2-3-4-5-6-7-8-11-14-12-9-10-13;1-4-5(2)3/h2-13H2,1H3;5H,1H3,(H,2,3)
FORMULA
C13H32NO4P
Common name
izopamfos
IUPAC name
methyl hydrogen phosphonate compound with 3-(isononyloxy)-1-propanamine (1:1)
Molecular weight
201.349
clogP
3.255
clogS
-4.107
HBond Acceptor
1
HBond Donor
2
Total Polar Surface Area
35.25
Number of Rings
0
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF00175 | 1-methoxybutane |
|
C(CCC)OC | 0.0027 |
| FDBF00795 | pentan-1-ol |
|
OCCCCC | 0.0038 |
| FDBF02836 | 3-methoxypropan-1-amine |
|
C(OC)CCN | 0.0007 |
18 ,
2
