3-[(Z)-2-[5-(4-chlorophenyl)furan-2-yl]-1-cyanoethenyl]benzonitrile
Formula:C20H11N2OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-2-[5-(4-chlorophenyl)furan-2-yl]-1-cyanoethenyl]benzonitrile is a drug-like molecule.
| MolName | 3-[(Z)-2-[5-(4-chlorophenyl)furan-2-yl]-1-cyanoethenyl]benzonitrile |
| MolecularFormula | C20H11N2OCl |
| Smiles | N#C/C(/c1cc(C#N)ccc1)=C\c1ccc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C20H11ClN2O/c21-18-6-4-15(5-7-18)20-9-8-19(24-20)11-17(13-23)16-3-1-2-14(10-16)12-22/h1-11H |
| InChIK | BLPVWMJOROAYPB-UHFFFAOYSA-N |
| TotalMolweight | 330.773 |
| Molweight | 330.773 |
| MonoisotopicMass | 330.05599 |
| CLogP | 4.7131 |
| CLogS | -6.598 |
| H Acceptors | 3 |
| TotalSurfaceArea | 266.02 |
| Relative PSA | 0.15499 |
| PolarSurfaceArea | 60.72 |
| Druglikeness | -3.4929 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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