2-(4-cyanophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C17H12N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-cyanophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-cyanophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H12N3O2F3 |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C\c1c(C(F)(F)F)cccc1)=O |
| InChI | InChI=1S/C17H12F3N3O2/c18-17(19,20)15-4-2-1-3-13(15)10-22-23-16(24)11-25-14-7-5-12(9-21)6-8-14/h1-8,10H,11H2,(H,23,24) |
| InChIK | IZFUOQJEJSUIHA-UHFFFAOYSA-N |
| TotalMolweight | 347.295 |
| Molweight | 347.295 |
| MonoisotopicMass | 347.088161 |
| CLogP | 3.4604 |
| CLogS | -5.052 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.92 |
| Relative PSA | 0.22744 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -7.2734 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-cyanophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-(4-cyanophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off