2,4-difluoro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]aniline
Formula:C18H13N3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-difluoro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]aniline is not a drug-like molecule.
| MolName | 2,4-difluoro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]aniline |
| MolecularFormula | C18H13N3F2 |
| Smiles | Fc(cc1)cc(F)c1N/N=C(/c1ccccc1)\c1ccncc1 |
| InChI | InChI=1S/C18H13F2N3/c19-15-6-7-17(16(20)12-15)22-23-18(13-4-2-1-3-5-13)14-8-10-21-11-9-14/h1-12,22H |
| InChIK | ZKEWYUJHGPZBAW-UHFFFAOYSA-N |
| TotalMolweight | 309.318 |
| Molweight | 309.318 |
| MonoisotopicMass | 309.107753 |
| CLogP | 5.2383 |
| CLogS | -4.758 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 238.67 |
| Relative PSA | 0.1422 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -0.059047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,4-difluoro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]aniline | 2 - 2,4-difluoro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]aniline
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