2,4,5-trichloro-6-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
Formula:C13H6N4Cl3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2,4,5-trichloro-6-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile is not a drug-like molecule.
| MolName | 2,4,5-trichloro-6-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile |
| MolecularFormula | C13H6N4Cl3F |
| Smiles | N#Cc(c(Cl)nc(N/N=C\c(cc1)ccc1F)c1Cl)c1Cl |
| InChI | InChI=1S/C13H6Cl3FN4/c14-10-9(5-18)12(16)20-13(11(10)15)21-19-6-7-1-3-8(17)4-2-7/h1-4,6H,(H,20,21) |
| InChIK | HXMBVJGONRTDPR-UHFFFAOYSA-N |
| TotalMolweight | 343.576 |
| Molweight | 343.576 |
| MonoisotopicMass | 341.964205 |
| CLogP | 6.0432 |
| CLogS | -5.937 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.32 |
| Relative PSA | 0.19602 |
| PolarSurfaceArea | 61.07 |
| Druglikeness | -3.2355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2,4,5-trichloro-6-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile | 2 - 2,4,5-trichloro-6-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carbonitrile
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