4-[(E)-1-cyano-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]benzonitrile
Formula:C20H10N2OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
4-[(E)-1-cyano-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(E)-1-cyano-2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]benzonitrile |
| MolecularFormula | C20H10N2OCl2 |
| Smiles | N#C/C(/c(cc1)ccc1C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C20H10Cl2N2O/c21-18-3-1-2-17(20(18)22)19-9-8-16(25-19)10-15(12-24)14-6-4-13(11-23)5-7-14/h1-10H |
| InChIK | PLHXAAWDLMFPAH-UHFFFAOYSA-N |
| TotalMolweight | 365.218 |
| Molweight | 365.218 |
| MonoisotopicMass | 364.017017 |
| CLogP | 5.3191 |
| CLogS | -7.334 |
| H Acceptors | 3 |
| TotalSurfaceArea | 281.44 |
| Relative PSA | 0.1465 |
| PolarSurfaceArea | 60.72 |
| Druglikeness | -3.4929 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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