2-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzonitrile
Formula:C18H13N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzonitrile is not a drug-like molecule.
| MolName | 2-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzonitrile |
| MolecularFormula | C18H13N3O |
| Smiles | N#Cc(cccc1)c1-c1ccc(/C=N\Nc2ccccc2)o1 |
| InChI | InChI=1S/C18H13N3O/c19-12-14-6-4-5-9-17(14)18-11-10-16(22-18)13-20-21-15-7-2-1-3-8-15/h1-11,13,21H |
| InChIK | GPJBZWSMXUKSEL-UHFFFAOYSA-N |
| TotalMolweight | 287.321 |
| Molweight | 287.321 |
| MonoisotopicMass | 287.105862 |
| CLogP | 5.6154 |
| CLogS | -5.382 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.4 |
| Relative PSA | 0.21065 |
| PolarSurfaceArea | 61.32 |
| Druglikeness | 0.0945 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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