Common name
(NE)-N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine
IUPAC name
(NE)-N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine
SMILES
c1(cc(c(cc1)Cl)F)/C=N/O
Common name
(NE)-N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine
IUPAC name
(NE)-N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine
SMILES
c1(cc(c(cc1)Cl)F)/C=N/O
INCHI
InChI=1S/C7H5ClFNO/c8-6-2-1-5(4-10-11)3-7(6)9/h1-4,11H/b10-4+
FORMULA
C7H5ClFNO
Common name
(NE)-N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine
IUPAC name
(NE)-N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine
Molecular weight
173.572
clogP
2.742
clogS
-2.353
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.59
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02310 | thiofluoximate |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3mt8_ligand_1_3.mol2 | 3mt8 | 0.6 | -7.12 | Clc1ccc(cc1)C=N | 9 |
| 3gs7_ligand_2_4.mol2 | 3gs7 | 0.533333 | -6.66 | c1ccccc1/C=N\O | 9 |
| 1yt9_ligand_1_13.mol2 | 1yt9 | 0.533333 | -6.56 | N(=C\c1ccccc1)/O | 9 |
| 1xkk_ligand_2_44.mol2 | 1xkk | 0.489796 | -6.90 | c1(cccc(F)c1)CO | 9 |
| 2r4b_ligand_2_0.mol2 | 2r4b | 0.489796 | -6.86 | OCc1cccc(F)c1 | 9 |
| 3bbt_ligand_2_9.mol2 | 3bbt | 0.489796 | -6.84 | c1(cccc(F)c1)CO | 9 |
| 2v0c_ligand_1_0.mol2 | 2v0c | 0.489796 | -6.25 | c1(cc(ccc1)F)CO | 9 |
131 ,
14
