Common name
1-(4-chlorophenyl)-N-methoxymethanimine
IUPAC name
1-(4-chlorophenyl)-N-methoxymethanimine
SMILES
CO/N=C/c1ccc(cc1)Cl
Common name
1-(4-chlorophenyl)-N-methoxymethanimine
IUPAC name
1-(4-chlorophenyl)-N-methoxymethanimine
SMILES
CO/N=C/c1ccc(cc1)Cl
INCHI
InChI=1S/C8H8ClNO/c1-11-10-6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6+
FORMULA
C8H8ClNO
Common name
1-(4-chlorophenyl)-N-methoxymethanimine
IUPAC name
1-(4-chlorophenyl)-N-methoxymethanimine
Molecular weight
169.608
clogP
2.787
clogS
-2.622
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
21.59
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01975 | flucycloxuron |
|
Insecticide | Insecticide |
| FDBD02309 | sulfoxime |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gs7_ligand_3_6.mol2 | 3gs7 | 0.769231 | -6.67 | CO/N=C\c1ccccc1 | 10 |
| 3mt8_ligand_1_3.mol2 | 3mt8 | 0.692308 | -7.12 | Clc1ccc(cc1)C=N | 9 |
| 3gs7_ligand_2_4.mol2 | 3gs7 | 0.615385 | -6.66 | c1ccccc1/C=N\O | 9 |
| 1yt9_ligand_1_13.mol2 | 1yt9 | 0.615385 | -6.56 | N(=C\c1ccccc1)/O | 9 |
| 4mdn_ligand_2_20.mol2 | 4mdn | 0.571429 | -6.96 | c1(ccc(cc1)Cl)CO | 9 |
| 4p90_ligand_1_2.mol2 | 4p90 | 0.571429 | -6.63 | c1c(ccc(c1)CO)Cl | 9 |
| 3myq_ligand_1_3.mol2 | 3myq | 0.571429 | -6.61 | C(O)c1ccc(cc1)Cl | 9 |
| 3m67_ligand_1_3.mol2 | 3m67 | 0.571429 | -6.55 | C(O)c1ccc(cc1)Cl | 9 |
| 2c1b_ligand_2_0.mol2 | 2c1b | 0.571429 | -6.12 | Clc1ccc(cc1)CO | 9 |
116 ,
12
