2,4-difluoro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
Formula:C20H16N2OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-difluoro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4-difluoro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline |
| MolecularFormula | C20H16N2OF2 |
| Smiles | Fc(cc1)cc(F)c1N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C20H16F2N2O/c21-17-9-10-20(19(22)12-17)24-23-13-16-7-4-8-18(11-16)25-14-15-5-2-1-3-6-15/h1-13,24H,14H2 |
| InChIK | IHBPCDYNCPDVBB-UHFFFAOYSA-N |
| TotalMolweight | 338.356 |
| Molweight | 338.356 |
| MonoisotopicMass | 338.123069 |
| CLogP | 6.3906 |
| CLogS | -5.118 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.46 |
| Relative PSA | 0.1242 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | 0.28884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2,4-difluoro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline | 2 - 2,4-difluoro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
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