Common name
1-(1H-imidazol-3-ium-3-yl)ethanimine
IUPAC name
1-(1H-imidazol-3-ium-3-yl)ethanimine
SMILES
CC(=N)n1cc[nH]c1
Common name
1-(1H-imidazol-3-ium-3-yl)ethanimine
IUPAC name
1-(1H-imidazol-3-ium-3-yl)ethanimine
SMILES
CC(=N)n1cc[nH]c1
INCHI
InChI=1S/C5H7N3/c1-5(6)8-3-2-7-4-8/h2-4,6H,1H3/p+1
FORMULA
C5H7N3
Common name
1-(1H-imidazol-3-ium-3-yl)ethanimine
IUPAC name
1-(1H-imidazol-3-ium-3-yl)ethanimine
Molecular weight
110.137
clogP
-0.804
clogS
-0.377
Frequency
0.0003
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
43.52
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03047 | triflumizole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djq_ligand_2_90.mol2 | 4djq | 0.529412 | -5.69 | C(C)N1CCNC1=O | 8 |
| 2jaj_ligand_3_31.mol2 | 2jaj | 0.5 | -6.29 | C(NC(=N)NC)C | 7 |
366 ,
37
