4-cyano-2-fluoro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
Formula:C22H14N3O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-cyano-2-fluoro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-2-fluoro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide |
| MolecularFormula | C22H14N3O2F |
| Smiles | C#CCOc1c(/C=N\NC(c(ccc(C#N)c2)c2F)=O)c2ccccc2cc1 |
| InChI | InChI=1S/C22H14FN3O2/c1-2-11-28-21-10-8-16-5-3-4-6-17(16)19(21)14-25-26-22(27)18-9-7-15(13-24)12-20(18)23/h1,3-10,12,14H,11H2,(H,26,27) |
| InChIK | HBJPPGFXAMQJFO-UHFFFAOYSA-N |
| TotalMolweight | 371.37 |
| Molweight | 371.37 |
| MonoisotopicMass | 371.107005 |
| CLogP | 4.2896 |
| CLogS | -7.056 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.22 |
| Relative PSA | 0.20042 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.5803 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 4-cyano-2-fluoro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide | 2 - 4-cyano-2-fluoro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
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