N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
Formula:C21H15N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide |
| MolecularFormula | C21H15N2O2F3 |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1F)N/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C21H15F3N2O2/c22-15-10-8-14(9-11-15)13-28-20-7-2-1-4-16(20)21(27)26-25-12-17-18(23)5-3-6-19(17)24/h1-12H,13H2,(H,26,27) |
| InChIK | NECPGXAKKQBWBL-UHFFFAOYSA-N |
| TotalMolweight | 384.356 |
| Molweight | 384.356 |
| MonoisotopicMass | 384.108562 |
| CLogP | 4.8521 |
| CLogS | -6.004 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.56 |
| Relative PSA | 0.1589 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.6805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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