Common name
fluorobenzene
IUPAC name
fluorobenzene
SMILES
Fc1ccccc1
Common name
fluorobenzene
IUPAC name
fluorobenzene
SMILES
Fc1ccccc1
INCHI
InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
FORMULA
C6H5F
Common name
fluorobenzene
IUPAC name
fluorobenzene
Molecular weight
96.102
clogP
2.398
clogS
-1.833
Frequency
0.0237
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03055 | epoxiconazole |
|
Fungicide | Fungicide |
| FDBD03059 | flusilazole |
|
Fungicide | Fungicide |
| FDBD03060 | flutriafol |
|
Fungicide | Fungicide |
| FDBD03074 | simeconazole |
|
Fungicide | Fungicide |
| FDBD03085 | fluoroimide |
|
Fungicide | Fungicide |
| FDBD03164 | flumorph |
|
Fungicide | Fungicide |
| FDBD03202 | nuarimol |
|
Fungicide | Fungicide |
| FDBD03215 | quinoxyfen |
|
Fungicide | Fungicide |
| FDBD03227 | flutianil |
|
Fungicide | Fungicide |
69 ,
7
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xkk_ligand_frag_10.mol2 | 1xkk | 1 | -6.81 | c1cccc(F)c1 | 7 |
| 2rgp_ligand_frag_0.mol2 | 2rgp | 1 | -6.79 | c1ccccc1F | 7 |
| 3bel_ligand_frag_0.mol2 | 3bel | 1 | -6.78 | c1cc(ccc1)F | 7 |
| 2r4b_ligand_frag_0.mol2 | 2r4b | 1 | -6.77 | Fc1ccccc1 | 7 |
| 3fu0_ligand_frag_0.mol2 | 3fu0 | 1 | -6.77 | Fc1ccccc1 | 7 |
| 4l8m_ligand_frag_2.mol2 | 4l8m | 1 | -6.77 | Fc1ccccc1 | 7 |
| 1zz2_ligand_frag_5.mol2 | 1zz2 | 1 | -6.74 | c1ccc(cc1)F | 7 |
| 3bbt_ligand_frag_5.mol2 | 3bbt | 1 | -6.74 | c1cccc(F)c1 | 7 |
443 ,
45
