N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C17H12N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C17H12N3O2F3 |
| Smiles | N#CCOc1ccc(/C=N\NC(c2cccc(C(F)(F)F)c2)=O)cc1 |
| InChI | InChI=1S/C17H12F3N3O2/c18-17(19,20)14-3-1-2-13(10-14)16(24)23-22-11-12-4-6-15(7-5-12)25-9-8-21/h1-7,10-11H,9H2,(H,23,24) |
| InChIK | VLSWUEOEROGOSB-UHFFFAOYSA-N |
| TotalMolweight | 347.295 |
| Molweight | 347.295 |
| MonoisotopicMass | 347.088161 |
| CLogP | 3.6318 |
| CLogS | -4.965 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.92 |
| Relative PSA | 0.22744 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -7.4495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| 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 |
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1 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
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