4-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]benzonitrile
Formula:C14H8N4ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
4-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]benzonitrile |
| MolecularFormula | C14H8N4ClF3 |
| Smiles | N#Cc1ccc(/C=N\Nc(ncc(C(F)(F)F)c2)c2Cl)cc1 |
| InChI | InChI=1S/C14H8ClF3N4/c15-12-5-11(14(16,17)18)8-20-13(12)22-21-7-10-3-1-9(6-19)2-4-10/h1-5,7-8H,(H,20,22) |
| InChIK | IURRKOIDSVTUNX-UHFFFAOYSA-N |
| TotalMolweight | 324.693 |
| Molweight | 324.693 |
| MonoisotopicMass | 324.038957 |
| CLogP | 5.4813 |
| CLogS | -5.166 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 234.59 |
| Relative PSA | 0.20248 |
| PolarSurfaceArea | 61.07 |
| Druglikeness | -9.0855 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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