Common name
2,4-dichlorophenol
IUPAC name
2,4-dichlorophenol
SMILES
Clc1c(ccc(c1)Cl)O
Common name
2,4-dichlorophenol
IUPAC name
2,4-dichlorophenol
SMILES
Clc1c(ccc(c1)Cl)O
INCHI
InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
FORMULA
C6H4Cl2O
Common name
2,4-dichlorophenol
IUPAC name
2,4-dichlorophenol
Molecular weight
163.001
clogP
2.666
clogS
-2.590
Frequency
0.0079
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
23 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rpo_ligand.mol2 | 4rpo | 1 | -7.58 | Clc1c(c(Cl)cc(c1)Cl)O | 11 |
| 4w9n_ligand_1_1.mol2 | 4w9n | 1 | -6.98 | Oc1c(cc(cc1)Cl)Cl | 9 |
| 5dtj_ligand_1_0.mol2 | 5dtj | 1 | -6.87 | c1(c(cc(cc1)Cl)Cl)O | 9 |
| 2xhr_ligand_1_1.mol2 | 2xhr | 1 | -6.64 | c1cc(c(Cl)cc1Cl)O | 9 |
| 2xel_ligand_frag_1.mol2 | 2xel | 1 | -6.60 | c1cc(Cl)cc(c1O)Cl | 9 |
| 1nhg_ligand_1_1.mol2 | 1nhg | 1 | -6.59 | Oc1c(cc(cc1)Cl)Cl | 9 |
| 2xo8_ligand_frag_0.mol2 | 2xo8 | 1 | -6.49 | c1(c(ccc(c1)Cl)O)Cl | 9 |
| 2wi7_ligand_1_2.mol2 | 2wi7 | 1 | -6.47 | Oc1ccc(cc1Cl)Cl | 9 |
102 ,
11
