N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
Formula:C25H19N2O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide |
| MolecularFormula | C25H19N2O2F |
| Smiles | O=C(c1ccccc1)N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1F |
| InChI | InChI=1S/C25H19FN2O2/c26-21-13-10-18(11-14-21)17-30-24-15-12-19-6-4-5-9-22(19)23(24)16-27-28-25(29)20-7-2-1-3-8-20/h1-16H,17H2,(H,28,29) |
| InChIK | GPOUADYXBMKYLZ-UHFFFAOYSA-N |
| TotalMolweight | 398.436 |
| Molweight | 398.436 |
| MonoisotopicMass | 398.143056 |
| CLogP | 5.8449 |
| CLogS | -6.982 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.46 |
| Relative PSA | 0.14772 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.6805 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide | 2 - N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off