N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-phenylpropanamide
Formula:C16H14N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C16H14N2OClF |
| Smiles | O=C(CCc1ccccc1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C16H14ClFN2O/c17-14-7-4-8-15(18)13(14)11-19-20-16(21)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,21) |
| InChIK | IEFDKKCILWIVEZ-UHFFFAOYSA-N |
| TotalMolweight | 304.751 |
| Molweight | 304.751 |
| MonoisotopicMass | 304.077868 |
| CLogP | 4.3609 |
| CLogS | -5.006 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 236.28 |
| Relative PSA | 0.1524 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-phenylpropanamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-phenylpropanamide
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