(Z)-N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-3-phenylprop-2-enamide
Formula:C17H13NO2BrCl3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(Z)-N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (Z)-N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C17H13NO2BrCl3 |
| Smiles | O=C(/C=C\c1ccccc1)NC(C(Cl)(Cl)Cl)Oc(cc1)ccc1Br |
| InChI | InChI=1S/C17H13BrCl3NO2/c18-13-7-9-14(10-8-13)24-16(17(19,20)21)22-15(23)11-6-12-4-2-1-3-5-12/h1-11,16H,(H,22,23)/t16-/m0/s1 |
| InChIK | WVOIEORSEWMOPI-INIZCTEOSA-N |
| TotalMolweight | 449.558 |
| Molweight | 449.558 |
| MonoisotopicMass | 446.919521 |
| CLogP | 5.2413 |
| CLogS | -5.597 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 286.53 |
| Relative PSA | 0.12041 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -1.6647 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (Z)-N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-3-phenylprop-2-enamide | 2 - (Z)-N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]-3-phenylprop-2-enamide
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