(E)-1-(3-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
Formula:C15H10OBrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-1-(3-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(3-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H10OBrCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)c1cccc(Br)c1 |
| InChI | InChI=1S/C15H10BrClO/c16-13-6-3-5-12(10-13)15(18)9-8-11-4-1-2-7-14(11)17/h1-10H |
| InChIK | MROFKUQZOLCZQH-UHFFFAOYSA-N |
| TotalMolweight | 321.6 |
| Molweight | 321.6 |
| MonoisotopicMass | 319.960353 |
| CLogP | 4.635 |
| CLogS | -5.41 |
| H Acceptors | 1 |
| TotalSurfaceArea | 211.32 |
| Relative PSA | 0.061707 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.5923 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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