(E)-3-(2-bromophenyl)-1-(9H-fluoren-3-yl)prop-2-en-1-one
Formula:C22H15OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-bromophenyl)-1-(9H-fluoren-3-yl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2-bromophenyl)-1-(9H-fluoren-3-yl)prop-2-en-1-one |
| MolecularFormula | C22H15OBr |
| Smiles | O=C(/C=C/c(cccc1)c1Br)c1cc(-c2c(C3)cccc2)c3cc1 |
| InChI | InChI=1S/C22H15BrO/c23-21-8-4-2-5-15(21)11-12-22(24)18-10-9-17-13-16-6-1-3-7-19(16)20(17)14-18/h1-12,14H,13H2 |
| InChIK | IMRAIRWKLDMYJK-UHFFFAOYSA-N |
| TotalMolweight | 375.264 |
| Molweight | 375.264 |
| MonoisotopicMass | 374.030626 |
| CLogP | 6.0473 |
| CLogS | -7.385 |
| H Acceptors | 1 |
| TotalSurfaceArea | 255.92 |
| Relative PSA | 0.050953 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.7794 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| StereoCon |
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