Common name
N-[(2-methylphenyl)methoxy]methanimine
IUPAC name
N-[(2-methylphenyl)methoxy]methanimine
SMILES
O(N=C)Cc1c(C)cccc1
Common name
N-[(2-methylphenyl)methoxy]methanimine
IUPAC name
N-[(2-methylphenyl)methoxy]methanimine
SMILES
O(N=C)Cc1c(C)cccc1
INCHI
InChI=1S/C9H11NO/c1-8-5-3-4-6-9(8)7-11-10-2/h3-6H,2,7H2,1H3
FORMULA
C9H11NO
Common name
N-[(2-methylphenyl)methoxy]methanimine
IUPAC name
N-[(2-methylphenyl)methoxy]methanimine
Molecular weight
149.190
clogP
2.791
clogS
-2.754
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
21.59
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02310 | thiofluoximate |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4edy_ligand_1_5.mol2 | 4edy | 0.558824 | -7.52 | c1c2c(ccc1CO)cccc2 | 12 |
| 1wbw_ligand_2_2.mol2 | 1wbw | 0.558824 | -7.51 | OCc1c2ccccc2ccc1 | 12 |
| 1kyn_ligand_1_2.mol2 | 1kyn | 0.558824 | -6.80 | OCc1cc2ccccc2cc1 | 12 |
| 1xdd_ligand_1_7.mol2 | 1xdd | 0.558824 | -6.15 | c1ccc2c(cccc2c1)CO | 12 |
184 ,
19
