(E)-3-(2-benzoylanilino)-1-(4-bromophenyl)prop-2-en-1-one
Formula:C22H16NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-benzoylanilino)-1-(4-bromophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-benzoylanilino)-1-(4-bromophenyl)prop-2-en-1-one |
| MolecularFormula | C22H16NO2Br |
| Smiles | O=C(/C=C/Nc(cccc1)c1C(c1ccccc1)=O)c(cc1)ccc1Br |
| InChI | InChI=1S/C22H16BrNO2/c23-18-12-10-16(11-13-18)21(25)14-15-24-20-9-5-4-8-19(20)22(26)17-6-2-1-3-7-17/h1-15,24H |
| InChIK | JJKGQAVTIPTFKI-UHFFFAOYSA-N |
| TotalMolweight | 406.278 |
| Molweight | 406.278 |
| MonoisotopicMass | 405.03644 |
| CLogP | 4.3297 |
| CLogS | -6.72 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 284.87 |
| Relative PSA | 0.13178 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | -1.2047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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