(Z)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
Formula:C19H11NOCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile |
| MolecularFormula | C19H11NOCl2 |
| Smiles | N#C/C(/c1ccccc1)=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 |
| InChI | InChI=1S/C19H11Cl2NO/c20-16-8-14(9-17(21)11-16)19-7-6-18(23-19)10-15(12-22)13-4-2-1-3-5-13/h1-11H |
| InChIK | RVSMSSPMXMCDDB-UHFFFAOYSA-N |
| TotalMolweight | 340.208 |
| Molweight | 340.208 |
| MonoisotopicMass | 339.021768 |
| CLogP | 5.4835 |
| CLogS | -6.561 |
| H Acceptors | 2 |
| TotalSurfaceArea | 259.73 |
| Relative PSA | 0.10653 |
| PolarSurfaceArea | 36.93 |
| Druglikeness | -3.4929 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| StereoCon |
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