Common name
(1Z)-N-[(1S)-2,2,2-trichloro-1-methoxyethyl]methanimidic acid
IUPAC name
(1Z)-N-[(1S)-2,2,2-trichloro-1-methoxyethyl]methanimidic acid
SMILES
CO[C@H](NC=O)C(Cl)(Cl)Cl
Common name
(1Z)-N-[(1S)-2,2,2-trichloro-1-methoxyethyl]methanimidic acid
IUPAC name
(1Z)-N-[(1S)-2,2,2-trichloro-1-methoxyethyl]methanimidic acid
SMILES
CO[C@H](NC=O)C(Cl)(Cl)Cl
INCHI
InChI=1S/C4H6Cl3NO2/c1-10-3(8-2-9)4(5,6)7/h2-3H,1H3,(H,8,9)/t3-/m0/s1
FORMULA
C4H6Cl3NO2
Common name
(1Z)-N-[(1S)-2,2,2-trichloro-1-methoxyethyl]methanimidic acid
IUPAC name
(1Z)-N-[(1S)-2,2,2-trichloro-1-methoxyethyl]methanimidic acid
Molecular weight
206.455
clogP
1.780
clogS
-1.478
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
41.82
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02956 | trichlamide |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6h_ligand_4_681.mol2 | 1w6h | 0.382353 | -5.34 | C(OC)C/N=C\O | 7 |
| 1w6h_ligand_1_12.mol2 | 1w6h | 0.357143 | -5.57 | C(C)/N=C\O | 5 |
| 1w6h_ligand_2_49.mol2 | 1w6h | 0.357143 | -5.57 | CC/N=C\O | 5 |
| 2nmy_ligand_2_13.mol2 | 2nmy | 0.357143 | -5.50 | C(/N=C\O)C | 5 |
| 2zu4_ligand_2_92.mol2 | 2zu4 | 0.357143 | -5.49 | CC/N=C\O | 5 |
| 1rm8_ligand_2_63.mol2 | 1rm8 | 0.357143 | -5.45 | C(=N\CC)\O | 5 |
| 1kzk_ligand_2_9.mol2 | 1kzk | 0.357143 | -5.41 | C(=N\CC)\O | 5 |
104 ,
11
