Common name
(E)-N-(((3,4-dichlorophenyl)amino)methyl)formimidic acid
IUPAC name
(E)-N-(((3,4-dichlorophenyl)amino)methyl)formimidic acid
SMILES
N(=CO)/CNc1ccc(c(c1)Cl)Cl
Common name
(E)-N-(((3,4-dichlorophenyl)amino)methyl)formimidic acid
IUPAC name
(E)-N-(((3,4-dichlorophenyl)amino)methyl)formimidic acid
SMILES
N(=CO)/CNc1ccc(c(c1)Cl)Cl
INCHI
1S/C8H8Cl2N2O/c9-7-2-1-6(3-8(7)10)12-4-11-5-13/h1-3,5,12H,4H2,(H,11,13)
FORMULA
C8H8Cl2N2O
Common name
(E)-N-(((3,4-dichlorophenyl)amino)methyl)formimidic acid
IUPAC name
(E)-N-(((3,4-dichlorophenyl)amino)methyl)formimidic acid
Molecular weight
219.068
clogP
2.525
clogS
-3.157
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
44.62
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02900 | chloraniformethan |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ywp_ligand_1_1.mol2 | 2ywp | 0.611111 | -6.87 | c1(cc(ccc1)Cl)NC(=O)N | 11 |
| 3heg_ligand_1_0.mol2 | 3heg | 0.584906 | -7.13 | C(=O)(Nc1ccc(cc1)Cl)N | 11 |
| 3gcs_ligand_1_0.mol2 | 3gcs | 0.584906 | -7.10 | c1c(ccc(c1)Cl)NC(=O)N | 11 |
| 2q1j_ligand_1_2.mol2 | 2q1j | 0.584906 | -6.98 | c1(ccc(cc1)Cl)NC(=O)N | 11 |
| 1uwh_ligand_1_0.mol2 | 1uwh | 0.584906 | -6.90 | C(=O)(Nc1ccc(cc1)Cl)N | 11 |
| 1bju_ligand_1_1.mol2 | 1bju | 0.584906 | -6.11 | c1(ccc(cc1)Cl)NC(=O)N | 11 |
| 4k4e_ligand_2_0.mol2 | 4k4e | 0.574468 | -6.45 | CNc1cc(ccc1)Cl | 9 |
| 2q1j_ligand_2_18.mol2 | 2q1j | 0.553571 | -7.11 | c1(ccc(cc1)Cl)NC(=O)NC | 12 |
100 ,
11
