(2,4-dichlorophenyl) (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enoate
Formula:C17H10O2Cl2S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2,4-dichlorophenyl) (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enoate is not a drug-like molecule.
| MolName | (2,4-dichlorophenyl) (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enoate |
| MolecularFormula | C17H10O2Cl2S2 |
| Smiles | O=C(/C(/c1cscc1)=C\c1cccs1)Oc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C17H10Cl2O2S2/c18-12-3-4-16(15(19)8-12)21-17(20)14(11-5-7-22-10-11)9-13-2-1-6-23-13/h1-10H |
| InChIK | FCTDEAHFFXWPOK-UHFFFAOYSA-N |
| TotalMolweight | 381.302 |
| Molweight | 381.302 |
| MonoisotopicMass | 379.949924 |
| CLogP | 5.6191 |
| CLogS | -5.795 |
| H Acceptors | 2 |
| TotalSurfaceArea | 267.96 |
| Relative PSA | 0.23795 |
| PolarSurfaceArea | 82.78 |
| Druglikeness | 2.2789 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2,4-dichlorophenyl) (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enoate | 2 - (2,4-dichlorophenyl) (Z)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off