N-[(Z)-(2-bromophenyl)methylideneamino]-2,4-difluoroaniline
Formula:C13H9N2BrF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-2,4-difluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-2,4-difluoroaniline |
| MolecularFormula | C13H9N2BrF2 |
| Smiles | Fc(cc1)cc(F)c1N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C13H9BrF2N2/c14-11-4-2-1-3-9(11)8-17-18-13-6-5-10(15)7-12(13)16/h1-8,18H |
| InChIK | XDLHHMNRQMLXJU-UHFFFAOYSA-N |
| TotalMolweight | 311.128 |
| Molweight | 311.128 |
| MonoisotopicMass | 309.991715 |
| CLogP | 5.7677 |
| CLogS | -4.611 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 200.57 |
| Relative PSA | 0.11452 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -0.70746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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1 - N-[(Z)-(2-bromophenyl)methylideneamino]-2,4-difluoroaniline | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-2,4-difluoroaniline
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