N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-4-fluoroaniline
Formula:C12H8N3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-4-fluoroaniline is not a drug-like molecule.
| MolName | N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-4-fluoroaniline |
| MolecularFormula | C12H8N3Cl2F |
| Smiles | Fc(cc1)ccc1N/N=C/c1cc(Cl)nc(Cl)c1 |
| InChI | InChI=1S/C12H8Cl2FN3/c13-11-5-8(6-12(14)17-11)7-16-18-10-3-1-9(15)2-4-10/h1-7,18H |
| InChIK | JULRUYMSUUBUIR-UHFFFAOYSA-N |
| TotalMolweight | 284.121 |
| Molweight | 284.121 |
| MonoisotopicMass | 283.007929 |
| CLogP | 5.3476 |
| CLogS | -3.666 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 205.19 |
| Relative PSA | 0.16541 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.0445 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-4-fluoroaniline | 2 - N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-4-fluoroaniline
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