2-(4-cyanophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C14H11N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-cyanophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-cyanophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C14H11N3O2S |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C\c1cccs1)=O |
| InChI | InChI=1S/C14H11N3O2S/c15-8-11-3-5-12(6-4-11)19-10-14(18)17-16-9-13-2-1-7-20-13/h1-7,9H,10H2,(H,17,18) |
| InChIK | ZUEFBLNGIOYUOH-UHFFFAOYSA-N |
| TotalMolweight | 285.326 |
| Molweight | 285.326 |
| MonoisotopicMass | 285.057197 |
| CLogP | 2.4787 |
| CLogS | -4.284 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 228.4 |
| Relative PSA | 0.34996 |
| PolarSurfaceArea | 102.72 |
| Druglikeness | 1.5647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-cyanophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(4-cyanophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off