4-[(E)-2-[2-[(3-chlorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzonitrile
Formula:C23H15N2OCl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
4-[(E)-2-[2-[(3-chlorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(E)-2-[2-[(3-chlorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzonitrile |
| MolecularFormula | C23H15N2OCl |
| Smiles | N#C/C(/c(cc1)ccc1C#N)=C/c(cccc1)c1OCc1cccc(Cl)c1 |
| InChI | InChI=1S/C23H15ClN2O/c24-22-6-3-4-18(12-22)16-27-23-7-2-1-5-20(23)13-21(15-26)19-10-8-17(14-25)9-11-19/h1-13H,16H2 |
| InChIK | SOIVLLHHPAQPLF-UHFFFAOYSA-N |
| TotalMolweight | 370.838 |
| Molweight | 370.838 |
| MonoisotopicMass | 370.08729 |
| CLogP | 5.1223 |
| CLogS | -6.479 |
| H Acceptors | 3 |
| TotalSurfaceArea | 300.09 |
| Relative PSA | 0.1237 |
| PolarSurfaceArea | 56.81 |
| Druglikeness | -5.155 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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