1-benzyl-5-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4H-pyridine-3-carbonitrile
Formula:C20H17N4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-5-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4H-pyridine-3-carbonitrile is a drug-like molecule.
| MolName | 1-benzyl-5-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4H-pyridine-3-carbonitrile |
| MolecularFormula | C20H17N4F |
| Smiles | N#CC(C1)=CN(Cc2ccccc2)C=C1/C=N\Nc(cc1)ccc1F |
| InChI | InChI=1S/C20H17FN4/c21-19-6-8-20(9-7-19)24-23-12-18-10-17(11-22)14-25(15-18)13-16-4-2-1-3-5-16/h1-9,12,14-15,24H,10,13H2 |
| InChIK | QHAJZZALXRIUDB-UHFFFAOYSA-N |
| TotalMolweight | 332.381 |
| Molweight | 332.381 |
| MonoisotopicMass | 332.143724 |
| CLogP | 4.2163 |
| CLogS | -4.161 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.04 |
| Relative PSA | 0.14787 |
| PolarSurfaceArea | 51.42 |
| Druglikeness | -1.3862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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