Common name
2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenol
IUPAC name
2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenol
SMILES
N(=C\c1cc(c(c(c1)Br)O)Br)/O
Common name
2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenol
IUPAC name
2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenol
SMILES
N(=C\c1cc(c(c(c1)Br)O)Br)/O
INCHI
InChI=1S/C7H5Br2NO2/c8-5-1-4(3-10-12)2-6(9)7(5)11/h1-3,11-12H/b10-3+
FORMULA
C7H5Br2NO2
Common name
2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenol
IUPAC name
2,6-dibromo-4-[(E)-hydroxyiminomethyl]phenol
Molecular weight
294.928
clogP
2.573
clogS
-2.734
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
52.82
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02613 | bromofenoxim |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ooz_ligand.mol2 | 2ooz | 0.711111 | -7.36 | Oc1ccc(cc1)/C=N/O | 11 |
| 3mta_ligand_1_3.mol2 | 3mta | 0.622222 | -7.09 | Brc1cccc(c1)C=N | 9 |
| 1xq0_ligand_2_5.mol2 | 1xq0 | 0.622222 | -6.42 | Oc1ccc(cc1Br)C | 9 |
| 1o3h_ligand_frag_1.mol2 | 1o3h | 0.622222 | -5.74 | c1cc(cc(c1O)Br)C | 9 |
| 1o3i_ligand_frag_1.mol2 | 1o3i | 0.622222 | -5.71 | c1cc(cc(c1O)Br)C | 9 |
| 1o3k_ligand_frag_1.mol2 | 1o3k | 0.622222 | -5.68 | c1cc(cc(c1O)Br)C | 9 |
| 1o3j_ligand_frag_1.mol2 | 1o3j | 0.622222 | -5.66 | c1cc(cc(c1O)Br)C | 9 |
| 3dp0_ligand_1_3.mol2 | 3dp0 | 0.612245 | -7.09 | c1(cc(Br)c(c(Br)c1O)O)C | 11 |
| 3dp2_ligand_1_3.mol2 | 3dp2 | 0.612245 | -7.05 | Cc1cc(Br)c(c(Br)c1O)O | 11 |
101 ,
11
