2-[(Z)-(4-chlorophenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
Formula:C24H15N2OCl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
2-[(Z)-(4-chlorophenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile is not a drug-like molecule.
| MolName | 2-[(Z)-(4-chlorophenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile |
| MolecularFormula | C24H15N2OCl |
| Smiles | N#Cc1c(/N=C\c(cc2)ccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 |
| InChI | InChI=1S/C24H15ClN2O/c25-20-13-11-17(12-14-20)16-27-24-21(15-26)22(18-7-3-1-4-8-18)23(28-24)19-9-5-2-6-10-19/h1-14,16H |
| InChIK | VQOVOQANRHDVIF-UHFFFAOYSA-N |
| TotalMolweight | 382.849 |
| Molweight | 382.849 |
| MonoisotopicMass | 382.08729 |
| CLogP | 6.3705 |
| CLogS | -8.714 |
| H Acceptors | 3 |
| TotalSurfaceArea | 304.12 |
| Relative PSA | 0.12883 |
| PolarSurfaceArea | 49.29 |
| Druglikeness | -3.6115 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2-[(Z)-(4-chlorophenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile | 2 - 2-[(Z)-(4-chlorophenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
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