N-benzyl-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]aniline
Formula:C21H18N2OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]aniline |
| MolecularFormula | C21H18N2OF2 |
| Smiles | FC(Oc1c(/C=N\N(Cc2ccccc2)c2ccccc2)cccc1)F |
| InChI | InChI=1S/C21H18F2N2O/c22-21(23)26-20-14-8-7-11-18(20)15-24-25(19-12-5-2-6-13-19)16-17-9-3-1-4-10-17/h1-15,21H,16H2 |
| InChIK | QMCIFBRGUMFQFH-UHFFFAOYSA-N |
| TotalMolweight | 352.383 |
| Molweight | 352.383 |
| MonoisotopicMass | 352.138719 |
| CLogP | 5.1412 |
| CLogS | -4.924 |
| H Acceptors | 3 |
| TotalSurfaceArea | 276.8 |
| Relative PSA | 0.090535 |
| PolarSurfaceArea | 24.83 |
| Druglikeness | 0.91423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-benzyl-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]aniline | 2 - N-benzyl-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]aniline
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