4-cyano-2-fluoro-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide
Formula:C21H14N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyano-2-fluoro-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-2-fluoro-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H14N3O2F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(cc1)ccc1Oc1ccccc1)=O |
| InChI | InChI=1S/C21H14FN3O2/c22-20-12-16(13-23)8-11-19(20)21(26)25-24-14-15-6-9-18(10-7-15)27-17-4-2-1-3-5-17/h1-12,14H,(H,25,26) |
| InChIK | PILKNONVEUWVTR-UHFFFAOYSA-N |
| TotalMolweight | 359.359 |
| Molweight | 359.359 |
| MonoisotopicMass | 359.107005 |
| CLogP | 4.5336 |
| CLogS | -7.105 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.81 |
| Relative PSA | 0.20916 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.3007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 4-cyano-2-fluoro-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide | 2 - 4-cyano-2-fluoro-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide
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