[(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
Formula:C15H10N2O3Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate is not a drug-like molecule.
| MolName | [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate |
| MolecularFormula | C15H10N2O3Cl4 |
| Smiles | N/C(/c(c(Cl)ccc1)c1Cl)=N/OC(COc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C15H10Cl4N2O3/c16-8-4-5-12(11(19)6-8)23-7-13(22)24-21-15(20)14-9(17)2-1-3-10(14)18/h1-6H,7H2,(H2,20,21) |
| InChIK | HRXSQODZJNPXCP-UHFFFAOYSA-N |
| TotalMolweight | 408.067 |
| Molweight | 408.067 |
| MonoisotopicMass | 405.944551 |
| CLogP | 5.071 |
| CLogS | -6.26 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.7 |
| Relative PSA | 0.21541 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -2.5475 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate | 2 - [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off