2-[(4-chlorophenyl)methylsulfanyl]-6-[(Z)-(phenylhydrazinylidene)methyl]pyridine-3-carbonitrile
Formula:C20H15N4ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(4-chlorophenyl)methylsulfanyl]-6-[(Z)-(phenylhydrazinylidene)methyl]pyridine-3-carbonitrile is not a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)methylsulfanyl]-6-[(Z)-(phenylhydrazinylidene)methyl]pyridine-3-carbonitrile |
| MolecularFormula | C20H15N4ClS |
| Smiles | N#Cc1ccc(/C=N\Nc2ccccc2)nc1SCc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H15ClN4S/c21-17-9-6-15(7-10-17)14-26-20-16(12-22)8-11-19(24-20)13-23-25-18-4-2-1-3-5-18/h1-11,13,25H,14H2 |
| InChIK | PIYWCDQQMBNKAX-UHFFFAOYSA-N |
| TotalMolweight | 378.886 |
| Molweight | 378.886 |
| MonoisotopicMass | 378.070593 |
| CLogP | 6.3944 |
| CLogS | -6.079 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 296.14 |
| Relative PSA | 0.21946 |
| PolarSurfaceArea | 86.37 |
| Druglikeness | -1.6468 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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