(E)-1-(4-bromophenyl)-3-(4-iodoanilino)prop-2-en-1-one
Formula:C15H11NOBrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-(4-iodoanilino)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-(4-iodoanilino)prop-2-en-1-one |
| MolecularFormula | C15H11NOBrI |
| Smiles | O=C(/C=C/Nc(cc1)ccc1I)c(cc1)ccc1Br |
| InChI | InChI=1S/C15H11BrINO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-10,18H |
| InChIK | STDKBDSNSFLING-UHFFFAOYSA-N |
| TotalMolweight | 428.062 |
| Molweight | 428.062 |
| MonoisotopicMass | 426.906873 |
| CLogP | 3.6368 |
| CLogS | -5.636 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 233.64 |
| Relative PSA | 0.10486 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.55 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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