Common name
(2Z)-2-(4-chlorophenyl)iminoethanol
IUPAC name
(2Z)-2-(4-chlorophenyl)iminoethanol
SMILES
C(/C=N\c1ccc(cc1)Cl)O
Common name
(2Z)-2-(4-chlorophenyl)iminoethanol
IUPAC name
(2Z)-2-(4-chlorophenyl)iminoethanol
SMILES
C(/C=N\c1ccc(cc1)Cl)O
INCHI
InChI=1S/C8H8ClNO/c9-7-1-3-8(4-2-7)10-5-6-11/h1-5,11H,6H2/b10-5-
FORMULA
C8H8ClNO
Common name
(2Z)-2-(4-chlorophenyl)iminoethanol
IUPAC name
(2Z)-2-(4-chlorophenyl)iminoethanol
Molecular weight
169.608
clogP
2.639
clogS
-2.325
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.59
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03047 | triflumizole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3mlb_ligand_1_10.mol2 | 3mlb | 0.553191 | -6.73 | Clc1ccccc1/N=C\O | 10 |
| 3mlb_ligand_1_11.mol2 | 3mlb | 0.553191 | -6.73 | Clc1ccccc1/N=C\O | 10 |
| 4fny_ligand_1_5.mol2 | 4fny | 0.512821 | -6.78 | Nc1ccc(Cl)cc1 | 8 |
| 2qu5_ligand_1_4.mol2 | 2qu5 | 0.512821 | -6.64 | c1(ccc(cc1)Cl)N | 8 |
| 2qu6_ligand_1_0.mol2 | 2qu6 | 0.512821 | -6.58 | Nc1ccc(cc1)Cl | 8 |
| 3idp_ligand_1_2.mol2 | 3idp | 0.512821 | -6.54 | Nc1ccc(Cl)cc1 | 8 |
| 4uyg_ligand_1_1.mol2 | 4uyg | 0.512821 | -6.07 | Nc1ccc(Cl)cc1 | 8 |
| 4bjx_ligand_1_1.mol2 | 4bjx | 0.512821 | -6.05 | Nc1ccc(Cl)cc1 | 8 |
102 ,
11
