Common name
2,5-dichlorobenzoic acid
IUPAC name
2,5-dichlorobenzoic acid
SMILES
c1c(c(ccc1Cl)Cl)C(=O)O
Common name
2,5-dichlorobenzoic acid
IUPAC name
2,5-dichlorobenzoic acid
SMILES
c1c(c(ccc1Cl)Cl)C(=O)O
INCHI
InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
FORMULA
C7H4Cl2O2
Common name
2,5-dichlorobenzoic acid
IUPAC name
2,5-dichlorobenzoic acid
Molecular weight
191.011
clogP
2.499
clogS
-2.552
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02441 | cambendichlor |
|
Herbicide | Herbicide |
| FDBD02443 | dicamba |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4j3m_ligand_frag_1.mol2 | 4j3m | 0.9 | -6.75 | c1ccc(cc1C(=O)O)Cl | 10 |
| 2k1q_ligand_frag_17.mol2 | 2k1q | 0.9 | -6.19 | c1c(Cl)cc(cc1)C(=O)O | 10 |
| 2k1q_ligand_1_16.mol2 | 2k1q | 0.880952 | -6.40 | c1(c(Cl)cc(cc1)C(=O)O)C | 11 |
| 2glm_ligand_frag_4.mol2 | 2glm | 0.875 | -6.61 | c1ccc(Cl)c(c1)C(=O)O | 10 |
| 1q4l_ligand_frag_3.mol2 | 1q4l | 0.875 | -6.53 | c1ccc(c(c1)C(=O)O)Cl | 10 |
| 1v0p_ligand_frag_3.mol2 | 1v0p | 0.875 | -6.36 | c1ccc(c(Cl)c1)C(=O)O | 10 |
| 4ibe_ligand_frag_0.mol2 | 4ibe | 0.875 | -6.14 | O=C(O)c1ccccc1Cl | 10 |
| 2vio_ligand_frag_3.mol2 | 2vio | 0.857143 | -6.66 | c1c(Cl)cc(cc1Cl)C(=O)O | 11 |
| 2k1q_ligand_2_135.mol2 | 2k1q | 0.770833 | -6.62 | c1(c(Cl)cc(cc1)C(=O)O)CC | 12 |
292 ,
30
