2,4,6-trichloro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]aniline
Formula:C15H9N2Cl3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]aniline |
| MolecularFormula | C15H9N2Cl3S2 |
| Smiles | Clc(cc1Cl)cc(Cl)c1N/N=C\c1ccc(-c2cccs2)s1 |
| InChI | InChI=1S/C15H9Cl3N2S2/c16-9-6-11(17)15(12(18)7-9)20-19-8-10-3-4-14(22-10)13-2-1-5-21-13/h1-8,20H |
| InChIK | PZOJTCMOKSJICM-UHFFFAOYSA-N |
| TotalMolweight | 387.741 |
| Molweight | 387.741 |
| MonoisotopicMass | 385.927269 |
| CLogP | 8.4473 |
| CLogS | -7.395 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 267.14 |
| Relative PSA | 0.23841 |
| PolarSurfaceArea | 80.87 |
| Druglikeness | 4.3766 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2,4,6-trichloro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off