(E)-3-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]-2-cyanoprop-2-enamide
Formula:C17H11N2O2ClI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]-2-cyanoprop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]-2-cyanoprop-2-enamide |
| MolecularFormula | C17H11N2O2ClI2 |
| Smiles | NC(/C(/C#N)=C/c(cc1I)cc(I)c1OCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C17H11ClI2N2O2/c18-13-3-1-10(2-4-13)9-24-16-14(19)6-11(7-15(16)20)5-12(8-21)17(22)23/h1-7H,9H2,(H2,22,23) |
| InChIK | PDWDBYBRCBHVPY-UHFFFAOYSA-N |
| TotalMolweight | 564.539 |
| Molweight | 564.539 |
| MonoisotopicMass | 563.859851 |
| CLogP | 3.7564 |
| CLogS | -6.456 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 297.45 |
| Relative PSA | 0.17438 |
| PolarSurfaceArea | 76.11 |
| Druglikeness | -2.7119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]-2-cyanoprop-2-enamide | 2 - (E)-3-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]-2-cyanoprop-2-enamide
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