4-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzonitrile
Formula:C15H10N3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzonitrile |
| MolecularFormula | C15H10N3F3 |
| Smiles | N#Cc1ccc(/C=N\Nc2c(C(F)(F)F)cccc2)cc1 |
| InChI | InChI=1S/C15H10F3N3/c16-15(17,18)13-3-1-2-4-14(13)21-20-10-12-7-5-11(9-19)6-8-12/h1-8,10,21H |
| InChIK | BYGHQJLUJQXGIO-UHFFFAOYSA-N |
| TotalMolweight | 289.259 |
| Molweight | 289.259 |
| MonoisotopicMass | 289.082681 |
| CLogP | 5.5248 |
| CLogS | -4.7 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 220.41 |
| Relative PSA | 0.16574 |
| PolarSurfaceArea | 48.18 |
| Druglikeness | -9.0475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 4-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzonitrile | 2 - 4-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzonitrile
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