2,4,6-trichloro-N-[(Z)-(2,5-dichlorothiophen-3-yl)methylideneamino]aniline
Formula:C11H5N2Cl5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-(2,5-dichlorothiophen-3-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-(2,5-dichlorothiophen-3-yl)methylideneamino]aniline |
| MolecularFormula | C11H5N2Cl5S |
| Smiles | Clc(s1)cc(/C=N\Nc(c(Cl)cc(Cl)c2)c2Cl)c1Cl |
| InChI | InChI=1S/C11H5Cl5N2S/c12-6-2-7(13)10(8(14)3-6)18-17-4-5-1-9(15)19-11(5)16/h1-4,18H |
| InChIK | SWRKVFBDTJXYTN-UHFFFAOYSA-N |
| TotalMolweight | 374.506 |
| Molweight | 374.506 |
| MonoisotopicMass | 371.861603 |
| CLogP | 8.0647 |
| CLogS | -6.763 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 242.28 |
| Relative PSA | 0.17884 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | 2.9156 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2,4,6-trichloro-N-[(Z)-(2,5-dichlorothiophen-3-yl)methylideneamino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-(2,5-dichlorothiophen-3-yl)methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off