IUPAC name
4-dodecylbenzenesulfonic acid compound with morpholine (1:1)
SMILES
CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O.C1COCCN1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
benzamorf
IUPAC name
4-dodecylbenzenesulfonic acid compound with morpholine (1:1)
SMILES
CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O.C1COCCN1
INCHI
InChI=1S/C18H30O3S.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-3-6-4-2-5-1/h13-16H,2-12H2,1H3,(H,19,20,21);5H,1-4H2
FORMULA
C22H39NO4S
Common name
benzamorf
IUPAC name
4-dodecylbenzenesulfonic acid compound with morpholine (1:1)
Molecular weight
326.494
clogP
4.853
clogS
-5.957
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
54.37
Number of Rings
1
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00086 | hexane |
|
CCCCCC | 0.0151 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00193 | propylbenzene |
|
C(c1ccccc1)CC | 0.0186 |
| FDBF06464 | 4-methylbenzenesulfonic acid |
|
S(=O)(=O)(O)c1ccc(C)cc1 | 0.0007 |
| FDBF06773 | 4-ethylbenzenesulfonic acid |
|
C(c1ccc(cc1)S(=O)(=O)O)C | 0.0003 |
| FDBF06774 | 4-propylbenzenesulfonic acid |
|
C(c1ccc(cc1)S(=O)(=O)O)CC | 0.0003 |
12 ,
2
