N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
Formula:C20H17N2OF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline |
| MolecularFormula | C20H17N2OF |
| Smiles | Fc1c(COc2cc(/C=N\Nc3ccccc3)ccc2)cccc1 |
| InChI | InChI=1S/C20H17FN2O/c21-20-12-5-4-8-17(20)15-24-19-11-6-7-16(13-19)14-22-23-18-9-2-1-3-10-18/h1-14,23H,15H2 |
| InChIK | WXYOJZHQALDPHZ-UHFFFAOYSA-N |
| TotalMolweight | 320.366 |
| Molweight | 320.366 |
| MonoisotopicMass | 320.132491 |
| CLogP | 6.2898 |
| CLogS | -4.804 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 259.11 |
| Relative PSA | 0.12724 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | 0.28884 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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