(E)-2-cyano-3-(3,5-dibromo-4-phenylmethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
Formula:C23H15N2O2Br2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(3,5-dibromo-4-phenylmethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-(3,5-dibromo-4-phenylmethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide |
| MolecularFormula | C23H15N2O2Br2I |
| Smiles | N#C/C(/C(Nc(cccc1)c1I)=O)=C\c(cc1Br)cc(Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H15Br2IN2O2/c24-18-11-16(12-19(25)22(18)30-14-15-6-2-1-3-7-15)10-17(13-27)23(29)28-21-9-5-4-8-20(21)26/h1-12H,14H2,(H,28,29) |
| InChIK | NAAUAPGBVZFYRI-UHFFFAOYSA-N |
| TotalMolweight | 638.092 |
| Molweight | 638.092 |
| MonoisotopicMass | 635.854498 |
| CLogP | 6.2239 |
| CLogS | -7.795 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 355.71 |
| Relative PSA | 0.13511 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -3.2608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-(3,5-dibromo-4-phenylmethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide | 2 - (E)-2-cyano-3-(3,5-dibromo-4-phenylmethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
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