(E)-3-anthracen-9-yl-1-(4-bromophenyl)prop-2-en-1-one
Formula:C23H15OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-anthracen-9-yl-1-(4-bromophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-anthracen-9-yl-1-(4-bromophenyl)prop-2-en-1-one |
| MolecularFormula | C23H15OBr |
| Smiles | O=C(/C=C/c1c(cccc2)c2cc2ccccc12)c(cc1)ccc1Br |
| InChI | InChI=1S/C23H15BrO/c24-19-11-9-16(10-12-19)23(25)14-13-22-20-7-3-1-5-17(20)15-18-6-2-4-8-21(18)22/h1-15H |
| InChIK | RGDZKKSHJCIXGN-UHFFFAOYSA-N |
| TotalMolweight | 387.275 |
| Molweight | 387.275 |
| MonoisotopicMass | 386.030626 |
| CLogP | 6.4178 |
| CLogS | -7.886 |
| H Acceptors | 1 |
| TotalSurfaceArea | 265.1 |
| Relative PSA | 0.049189 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.6775 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 8 |
| StereoCon |
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