(E)-1,3-bis(2-bromophenyl)prop-2-en-1-one
Formula:C15H10OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,3-bis(2-bromophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1,3-bis(2-bromophenyl)prop-2-en-1-one |
| MolecularFormula | C15H10OBr2 |
| Smiles | O=C(/C=C/c(cccc1)c1Br)c(cccc1)c1Br |
| InChI | InChI=1S/C15H10Br2O/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10H |
| InChIK | OJEVWFUOQKPDNO-UHFFFAOYSA-N |
| TotalMolweight | 366.051 |
| Molweight | 366.051 |
| MonoisotopicMass | 363.909837 |
| CLogP | 4.7542 |
| CLogS | -5.508 |
| H Acceptors | 1 |
| TotalSurfaceArea | 214.53 |
| Relative PSA | 0.060784 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.6775 |
| 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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