N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C18H14N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C18H14N3O2F3 |
| Smiles | N#CCOc1ccc(/C=N\NC(Cc2cccc(C(F)(F)F)c2)=O)cc1 |
| InChI | InChI=1S/C18H14F3N3O2/c19-18(20,21)15-3-1-2-14(10-15)11-17(25)24-23-12-13-4-6-16(7-5-13)26-9-8-22/h1-7,10,12H,9,11H2,(H,24,25) |
| InChIK | RBWRPAVBNFUKTE-UHFFFAOYSA-N |
| TotalMolweight | 361.322 |
| Molweight | 361.322 |
| MonoisotopicMass | 361.103811 |
| CLogP | 3.6299 |
| CLogS | -4.93 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.68 |
| Relative PSA | 0.21608 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -7.4614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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