N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzamide
Formula:C21H16N2O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzamide |
| MolecularFormula | C21H16N2O2ClF |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C21H16ClFN2O2/c22-18-7-1-16(2-8-18)14-27-20-11-3-15(4-12-20)13-24-25-21(26)17-5-9-19(23)10-6-17/h1-13H,14H2,(H,25,26) |
| InChIK | SCLDRJSLAVYAOU-UHFFFAOYSA-N |
| TotalMolweight | 382.821 |
| Molweight | 382.821 |
| MonoisotopicMass | 382.088433 |
| CLogP | 5.2565 |
| CLogS | -6.112 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.28 |
| Relative PSA | 0.15742 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.7114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzamide | 2 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzamide
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