N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2,4-difluoroaniline
Formula:C15H11N2BrF2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2,4-difluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2,4-difluoroaniline |
| MolecularFormula | C15H11N2BrF2 |
| Smiles | Fc(cc1)cc(F)c1N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C15H11BrF2N2/c16-12(8-11-4-2-1-3-5-11)10-19-20-15-7-6-13(17)9-14(15)18/h1-10,20H |
| InChIK | MMFXVXGXBKFTOP-UHFFFAOYSA-N |
| TotalMolweight | 337.166 |
| Molweight | 337.166 |
| MonoisotopicMass | 336.007365 |
| CLogP | 5.6534 |
| CLogS | -4.902 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 225.28 |
| Relative PSA | 0.10196 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.1363 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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