(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-phenylprop-2-enamide
Formula:C20H12N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-phenylprop-2-enamide |
| MolecularFormula | C20H12N2O2Cl2 |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 |
| InChI | InChI=1S/C20H12Cl2N2O2/c21-15-8-13(9-16(22)11-15)19-7-6-18(26-19)10-14(12-23)20(25)24-17-4-2-1-3-5-17/h1-11H,(H,24,25) |
| InChIK | WQYYTVBTHUITSF-UHFFFAOYSA-N |
| TotalMolweight | 383.233 |
| Molweight | 383.233 |
| MonoisotopicMass | 382.027582 |
| CLogP | 5.1392 |
| CLogS | -6.702 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 288.94 |
| Relative PSA | 0.18056 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -0.70327 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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