(E)-3-anthracen-9-yl-1-(3-bromophenyl)prop-2-en-1-one
Formula:C23H15OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-anthracen-9-yl-1-(3-bromophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-anthracen-9-yl-1-(3-bromophenyl)prop-2-en-1-one |
| MolecularFormula | C23H15OBr |
| Smiles | O=C(/C=C/c1c(cccc2)c2cc2ccccc12)c1cccc(Br)c1 |
| InChI | InChI=1S/C23H15BrO/c24-19-9-5-8-18(15-19)23(25)13-12-22-20-10-3-1-6-16(20)14-17-7-2-4-11-21(17)22/h1-15H |
| InChIK | OOYGRLHZCLKWNG-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 | 0.48 |
| 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 | 6 |
| StereoCon |
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