N-[(Z)-[3-(difluoromethoxy)phenyl]methylideneamino]aniline
Formula:C14H12N2OF2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-(difluoromethoxy)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[3-(difluoromethoxy)phenyl]methylideneamino]aniline |
| MolecularFormula | C14H12N2OF2 |
| Smiles | FC(Oc1cc(/C=N\Nc2ccccc2)ccc1)F |
| InChI | InChI=1S/C14H12F2N2O/c15-14(16)19-13-8-4-5-11(9-13)10-17-18-12-6-2-1-3-7-12/h1-10,14,18H |
| InChIK | VZACPDUHDMYSTG-UHFFFAOYSA-N |
| TotalMolweight | 262.258 |
| Molweight | 262.258 |
| MonoisotopicMass | 262.091769 |
| CLogP | 5.0103 |
| CLogS | -3.771 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 204.44 |
| Relative PSA | 0.16127 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -0.6935 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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