(E)-3-phenyl-N-[2,2,2-trichloro-1-(4-iodoanilino)ethyl]prop-2-enamide
Formula:C17H14N2OCl3I
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(E)-3-phenyl-N-[2,2,2-trichloro-1-(4-iodoanilino)ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-[2,2,2-trichloro-1-(4-iodoanilino)ethyl]prop-2-enamide |
| MolecularFormula | C17H14N2OCl3I |
| Smiles | O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)Nc(cc1)ccc1I |
| InChI | InChI=1S/C17H14Cl3IN2O/c18-17(19,20)16(22-14-9-7-13(21)8-10-14)23-15(24)11-6-12-4-2-1-3-5-12/h1-11,16,22H,(H,23,24)/t16-/m1/s1 |
| InChIK | UEWHLXPEUKHKKO-MRXNPFEDSA-N |
| TotalMolweight | 495.57 |
| Molweight | 495.57 |
| MonoisotopicMass | 493.921642 |
| CLogP | 4.6702 |
| CLogS | -5.821 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 295.64 |
| Relative PSA | 0.12163 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 0.61764 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | methanediamine |
| 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 | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-3-phenyl-N-[2,2,2-trichloro-1-(4-iodoanilino)ethyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[2,2,2-trichloro-1-(4-iodoanilino)ethyl]prop-2-enamide
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