(E)-1-(2-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
Formula:C15H10OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H10OBrF |
| Smiles | O=C(/C=C/c1cc(F)ccc1)c(cccc1)c1Br |
| InChI | InChI=1S/C15H10BrFO/c16-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(17)10-11/h1-10H |
| InChIK | WTMBUXAXOGRIKV-UHFFFAOYSA-N |
| TotalMolweight | 305.145 |
| Molweight | 305.145 |
| MonoisotopicMass | 303.989904 |
| CLogP | 4.1298 |
| CLogS | -4.988 |
| H Acceptors | 1 |
| TotalSurfaceArea | 202.25 |
| Relative PSA | 0.064475 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.0175 |
| Mutagenic | none |
| Tumorigenic | none |
| 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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