Common name
N-(pyridin-2-ylmethoxy)methanimine
IUPAC name
N-(pyridin-2-ylmethoxy)methanimine
SMILES
O(N=C)Cc1ncccc1
Common name
N-(pyridin-2-ylmethoxy)methanimine
IUPAC name
N-(pyridin-2-ylmethoxy)methanimine
SMILES
O(N=C)Cc1ncccc1
INCHI
InChI=1S/C7H8N2O/c1-8-10-6-7-4-2-3-5-9-7/h2-5H,1,6H2
FORMULA
C7H8N2O
Common name
N-(pyridin-2-ylmethoxy)methanimine
IUPAC name
N-(pyridin-2-ylmethoxy)methanimine
Molecular weight
136.151
clogP
1.824
clogS
-1.983
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
34.48
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03037 | picarbutrazox |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hgs_ligand_2_4.mol2 | 4hgs | 0.698113 | -6.30 | OCc1ccccn1 | 8 |
| 4kbc_ligand_1_1.mol2 | 4kbc | 0.698113 | -6.26 | C(O)c1ncccc1 | 8 |
| 4hgt_ligand_2_4.mol2 | 4hgt | 0.698113 | -6.19 | OCc1ccccn1 | 8 |
| 2ohu_ligand_2_20.mol2 | 2ohu | 0.698113 | -5.93 | OCc1ccccn1 | 8 |
100 ,
11
