(E)-1-(4-bromophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one
Formula:C19H12O2BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C19H12O2BrCl |
| Smiles | O=C(/C=C/c1ccc(-c2cc(Cl)ccc2)o1)c(cc1)ccc1Br |
| InChI | InChI=1S/C19H12BrClO2/c20-15-6-4-13(5-7-15)18(22)10-8-17-9-11-19(23-17)14-2-1-3-16(21)12-14/h1-12H |
| InChIK | CBCZFYCPPVKDOX-UHFFFAOYSA-N |
| TotalMolweight | 387.659 |
| Molweight | 387.659 |
| MonoisotopicMass | 385.970918 |
| CLogP | 5.5739 |
| CLogS | -6.87 |
| H Acceptors | 2 |
| TotalSurfaceArea | 260.77 |
| Relative PSA | 0.10411 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 0.033037 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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