2,4-difluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
Formula:C15H12N2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-difluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline is not a drug-like molecule.
| MolName | 2,4-difluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline |
| MolecularFormula | C15H12N2F2 |
| Smiles | Fc(cc1)cc(F)c1N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C15H12F2N2/c16-13-8-9-15(14(17)11-13)19-18-10-4-7-12-5-2-1-3-6-12/h1-11,19H |
| InChIK | QYWLVYZVXVHABE-UHFFFAOYSA-N |
| TotalMolweight | 258.27 |
| Molweight | 258.27 |
| MonoisotopicMass | 258.096854 |
| CLogP | 5.0608 |
| CLogS | -4.069 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 208.44 |
| Relative PSA | 0.1102 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 0.95525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2,4-difluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline | 2 - 2,4-difluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
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