Common name
(1Z)-N-(2-bromo-4-chlorophenyl)methanimidic acid
IUPAC name
(1Z)-N-(2-bromo-4-chlorophenyl)methanimidic acid
SMILES
c1c(c(cc(c1)Cl)Br)NC=O
Common name
(1Z)-N-(2-bromo-4-chlorophenyl)methanimidic acid
IUPAC name
(1Z)-N-(2-bromo-4-chlorophenyl)methanimidic acid
SMILES
c1c(c(cc(c1)Cl)Br)NC=O
INCHI
InChI=1S/C7H5BrClNO/c8-6-3-5(9)1-2-7(6)10-4-11/h1-4H,(H,10,11)
FORMULA
C7H5BrClNO
Common name
(1Z)-N-(2-bromo-4-chlorophenyl)methanimidic acid
IUPAC name
(1Z)-N-(2-bromo-4-chlorophenyl)methanimidic acid
Molecular weight
234.478
clogP
2.998
clogS
-2.937
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.59
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01916 | cyclaniliprole |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3mlb_ligand_1_10.mol2 | 3mlb | 0.659574 | -6.73 | Clc1ccccc1/N=C\O | 10 |
| 3mlb_ligand_1_11.mol2 | 3mlb | 0.659574 | -6.73 | Clc1ccccc1/N=C\O | 10 |
| 4fny_ligand_1_5.mol2 | 4fny | 0.454545 | -6.78 | Nc1ccc(Cl)cc1 | 8 |
| 2qu5_ligand_1_4.mol2 | 2qu5 | 0.454545 | -6.64 | c1(ccc(cc1)Cl)N | 8 |
| 2qu6_ligand_1_0.mol2 | 2qu6 | 0.454545 | -6.58 | Nc1ccc(cc1)Cl | 8 |
| 3idp_ligand_1_2.mol2 | 3idp | 0.454545 | -6.54 | Nc1ccc(Cl)cc1 | 8 |
| 4uyg_ligand_1_1.mol2 | 4uyg | 0.454545 | -6.07 | Nc1ccc(Cl)cc1 | 8 |
| 4bjx_ligand_1_1.mol2 | 4bjx | 0.454545 | -6.05 | Nc1ccc(Cl)cc1 | 8 |
104 ,
11
