(E)-N-(3-chlorophenyl)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyanoprop-2-enamide
Formula:C20H12N2O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(3-chlorophenyl)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyanoprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(3-chlorophenyl)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyanoprop-2-enamide |
| MolecularFormula | C20H12N2O2Cl2S |
| Smiles | N#C/C(/C(Nc1cccc(Cl)c1)=O)=C\c(o1)ccc1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H12Cl2N2O2S/c21-14-4-7-18(8-5-14)27-19-9-6-17(26-19)10-13(12-23)20(25)24-16-3-1-2-15(22)11-16/h1-11H,(H,24,25) |
| InChIK | JYTMTKCUDOJIJV-UHFFFAOYSA-N |
| TotalMolweight | 415.299 |
| Molweight | 415.299 |
| MonoisotopicMass | 413.999652 |
| CLogP | 5.3075 |
| CLogS | -6.473 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 306.43 |
| Relative PSA | 0.22733 |
| PolarSurfaceArea | 91.33 |
| Druglikeness | -0.38167 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(3-chlorophenyl)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyanoprop-2-enamide | 2 - (E)-N-(3-chlorophenyl)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyanoprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off