Common name
bromobenzene
IUPAC name
bromobenzene
SMILES
Brc1ccccc1
Common name
bromobenzene
IUPAC name
bromobenzene
SMILES
Brc1ccccc1
INCHI
InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
FORMULA
C6H5Br
Common name
bromobenzene
IUPAC name
bromobenzene
Molecular weight
157.008
clogP
2.655
clogS
-2.478
Frequency
0.0045
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 |
|---|---|---|---|---|
| FDBD02242 | brofenvalerate |
|
Insecticide | Insecticide |
| FDBD02243 | brofluthrinate |
|
Insecticide | Insecticide |
| FDBD02793 | metobromuron |
|
Herbicide | Herbicide |
13 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6j_ligand_frag_0.mol2 | 1w6j | 1 | -7.05 | c1ccc(Br)cc1 | 7 |
| 4xt2_ligand_frag_2.mol2 | 4xt2 | 1 | -7.01 | c1cc(Br)ccc1 | 7 |
| 5afj_ligand_frag_1.mol2 | 5afj | 1 | -7.00 | c1ccc(Br)cc1 | 7 |
| 1std_ligand_frag_3.mol2 | 1std | 1 | -6.96 | c1ccc(cc1)Br | 7 |
| 6std_ligand_frag_0.mol2 | 6std | 1 | -6.96 | c1(Br)ccccc1 | 7 |
| 4d1c_ligand_frag_2.mol2 | 4d1c | 1 | -6.94 | c1cccc(c1)Br | 7 |
| 4std_ligand_frag_3.mol2 | 4std | 1 | -6.94 | c1ccc(cc1)Br | 7 |
| 1h3c_ligand_frag_11.mol2 | 1h3c | 1 | -6.92 | c1ccc(cc1)Br | 7 |
| 4g1f_ligand_frag_2.mol2 | 4g1f | 1 | -6.92 | c1ccccc1Br | 7 |
107 ,
11
