Common name
4-chlorophenol
IUPAC name
4-chlorophenol
SMILES
Oc1ccc(cc1)Cl
Common name
4-chlorophenol
IUPAC name
4-chlorophenol
SMILES
Oc1ccc(cc1)Cl
INCHI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
FORMULA
C6H5ClO
Common name
4-chlorophenol
IUPAC name
4-chlorophenol
Molecular weight
128.556
clogP
2.061
clogS
-1.793
Frequency
0.0072
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03078 | triadimenol |
|
Fungicide | Fungicide |
21 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh7_ligand_1_0.mol2 | 3fh7 | 1 | -7.00 | c1cc(Cl)ccc1O | 8 |
| 5aom_ligand_frag_0.mol2 | 5aom | 1 | -6.94 | Clc1ccc(cc1)O | 8 |
| 4dt6_ligand_1_6.mol2 | 4dt6 | 1 | -6.89 | Oc1ccc(Cl)cc1 | 8 |
| 3drs_ligand_1_3.mol2 | 3drs | 1 | -6.87 | Oc1ccc(Cl)cc1 | 8 |
| 5ale_ligand_frag_0.mol2 | 5ale | 1 | -6.86 | c1cc(ccc1Cl)O | 8 |
| 3c6u_ligand_1_1.mol2 | 3c6u | 1 | -6.85 | c1c(ccc(c1)O)Cl | 8 |
| 3drp_ligand_1_2.mol2 | 3drp | 1 | -6.83 | Oc1ccc(Cl)cc1 | 8 |
| 830c_ligand_1_0.mol2 | 830c | 1 | -6.83 | c1cc(ccc1Cl)O | 8 |
| 4dum_ligand_1_5.mol2 | 4dum | 1 | -6.81 | Oc1ccc(Cl)cc1 | 8 |
109 ,
11
