(E)-1-(4-anilinophenyl)-3-(4-bromophenyl)prop-2-en-1-one
Formula:C21H16NOBr
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
(E)-1-(4-anilinophenyl)-3-(4-bromophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-anilinophenyl)-3-(4-bromophenyl)prop-2-en-1-one |
| MolecularFormula | C21H16NOBr |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c(cc1)ccc1Nc1ccccc1 |
| InChI | InChI=1S/C21H16BrNO/c22-18-11-6-16(7-12-18)8-15-21(24)17-9-13-20(14-10-17)23-19-4-2-1-3-5-19/h1-15,23H |
| InChIK | BVBNPDQKKHRDGR-UHFFFAOYSA-N |
| TotalMolweight | 378.268 |
| Molweight | 378.268 |
| MonoisotopicMass | 377.041525 |
| CLogP | 5.5594 |
| CLogS | -6.252 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 267.12 |
| Relative PSA | 0.091719 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.975 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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