Common name
1-chloro-4-methyl-benzene
IUPAC name
1-chloro-4-methyl-benzene
SMILES
Cc1ccc(cc1)Cl
Common name
1-chloro-4-methyl-benzene
IUPAC name
1-chloro-4-methyl-benzene
SMILES
Cc1ccc(cc1)Cl
INCHI
InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
FORMULA
C7H7Cl
Common name
1-chloro-4-methyl-benzene
IUPAC name
1-chloro-4-methyl-benzene
Molecular weight
126.583
clogP
2.993
clogS
-2.753
Frequency
0.0113
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03068 | metconazole |
|
Fungicide | Fungicide |
| FDBD03075 | tebuconazole |
|
Fungicide | Fungicide |
| FDBD03236 | pencycuron |
|
Fungicide | Fungicide |
33 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mdn_ligand_1_6.mol2 | 4mdn | 1 | -7.20 | c1(ccc(cc1)Cl)C | 8 |
| 4cl6_ligand_1_1.mol2 | 4cl6 | 1 | -7.15 | Clc1ccc(cc1)C | 8 |
| 4b81_ligand_1_5.mol2 | 4b81 | 1 | -6.93 | Cc1ccc(cc1)Cl | 8 |
| 1zgv_ligand_frag_0.mol2 | 1zgv | 1 | -6.86 | c1c(ccc(c1)Cl)C | 8 |
| 2xae_ligand_1_3.mol2 | 2xae | 1 | -6.82 | Cc1ccc(cc1)Cl | 8 |
| 5em5_ligand_1_5.mol2 | 5em5 | 1 | -6.81 | Cc1ccc(cc1)Cl | 8 |
| 1pzo_ligand_1_0.mol2 | 1pzo | 1 | -6.77 | Clc1ccc(cc1)C | 8 |
121 ,
13
