Common name
1,1,1-trichloroethane
IUPAC name
1,1,1-trichloroethane
SMILES
CC(Cl)(Cl)Cl
Common name
1,1,1-trichloroethane
IUPAC name
1,1,1-trichloroethane
SMILES
CC(Cl)(Cl)Cl
INCHI
InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
FORMULA
C2H3Cl3
Common name
1,1,1-trichloroethane
IUPAC name
1,1,1-trichloroethane
Molecular weight
133.404
clogP
2.074
clogS
-2.130
Frequency
0.0034
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01953 | methylchloroform |
|
Insecticide | Insecticide |
| FDBD02035 | bromo-DDT |
|
Insecticide | Insecticide |
| FDBD02036 | DDT |
|
Insecticide | Insecticide |
| FDBD02040 | methoxychlor |
|
Insecticide | Insecticide |
| FDBD02195 | butonate |
|
Insecticide | Insecticide |
| FDBD02343 | plifenate |
|
Insecticide | Insecticide |
| FDBD02887 | tavron |
|
Herbicide | Herbicide |
| FDBD02889 | tridiphane |
|
Herbicide | Herbicide |
| FDBD02900 | chloraniformethan |
|
Fungicide | Fungicide |
| FDBD02917 | triforine |
|
Fungicide | Fungicide |
10 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mgd_ligand_1_1.mol2 | 4mgd | 1 | -6.25 | CC(Cl)(Cl)Cl | 5 |
| 4o2p_ligand_1_7.mol2 | 4o2p | 0.8 | -5.63 | C(Cl)C | 3 |
| 5cqj_ligand_frag_1.mol2 | 5cqj | 0.8 | -5.44 | CCCl | 3 |
| 1xa5_ligand_1_4.mol2 | 1xa5 | 0.8 | -5.33 | C(Cl)C | 3 |
| 2gde_ligand_1_5.mol2 | 2gde | 0.8 | -5.29 | CCCl | 3 |
| 1g5f_ligand.mol2 | 1g5f | 0.666667 | -5.74 | ClCCCl | 5 |
| 4yas_ligand.mol2 | 4yas | 0.625 | -6.10 | C(CO)(Cl)(Cl)Cl | 7 |
| 4yas_ligand_frag_0.mol2 | 4yas | 0.6 | -5.97 | C(Cl)(Cl)Cl | 4 |
6992 ,
700
