(E)-N-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide
Formula:C14H8N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide |
| MolecularFormula | C14H8N2OCl2S |
| Smiles | N#C/C(/C(Nc(cccc1)c1Cl)=O)=C\c(s1)ccc1Cl |
| InChI | InChI=1S/C14H8Cl2N2OS/c15-11-3-1-2-4-12(11)18-14(19)9(8-17)7-10-5-6-13(16)20-10/h1-7H,(H,18,19) |
| InChIK | QXGROUGBCYKELA-UHFFFAOYSA-N |
| TotalMolweight | 323.203 |
| Molweight | 323.203 |
| MonoisotopicMass | 321.973437 |
| CLogP | 4.2716 |
| CLogS | -5.269 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.43 |
| Relative PSA | 0.24814 |
| PolarSurfaceArea | 81.13 |
| Druglikeness | -0.51791 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide | 2 - (E)-N-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off