(1Z)-N-(4-chloroanilino)-2-oxo-2-thiophen-3-ylethanimidoyl cyanide
Formula:C13H8N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1Z)-N-(4-chloroanilino)-2-oxo-2-thiophen-3-ylethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-(4-chloroanilino)-2-oxo-2-thiophen-3-ylethanimidoyl cyanide |
| MolecularFormula | C13H8N3OClS |
| Smiles | N#C/C(/C(c1cscc1)=O)=N/Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C13H8ClN3OS/c14-10-1-3-11(4-2-10)16-17-12(7-15)13(18)9-5-6-19-8-9/h1-6,8,16H |
| InChIK | SJYGUKHFZCOYMF-UHFFFAOYSA-N |
| TotalMolweight | 289.746 |
| Molweight | 289.746 |
| MonoisotopicMass | 289.007659 |
| CLogP | 3.8162 |
| CLogS | -4.215 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 218.27 |
| Relative PSA | 0.32038 |
| PolarSurfaceArea | 93.49 |
| Druglikeness | -1.2974 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-N-(4-chloroanilino)-2-oxo-2-thiophen-3-ylethanimidoyl cyanide | 2 - (1Z)-N-(4-chloroanilino)-2-oxo-2-thiophen-3-ylethanimidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off