N-[(Z)-(4-bromophenyl)methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine
Formula:C12H6N3BrF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine |
| MolecularFormula | C12H6N3BrF4 |
| Smiles | Fc(c(N/N=C\c(cc1)ccc1Br)c(c(F)n1)F)c1F |
| InChI | InChI=1S/C12H6BrF4N3/c13-7-3-1-6(2-4-7)5-18-20-10-8(14)11(16)19-12(17)9(10)15/h1-5H,(H,19,20) |
| InChIK | NUYOMWQOWUQOCB-UHFFFAOYSA-N |
| TotalMolweight | 348.097 |
| Molweight | 348.097 |
| MonoisotopicMass | 346.96812 |
| CLogP | 5.6712 |
| CLogS | -5.494 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 212.03 |
| Relative PSA | 0.16007 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -0.70746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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