(E)-1-(4-bromophenyl)-3-quinolin-6-ylprop-2-en-1-one
Formula:C18H12NOBr
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-quinolin-6-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-quinolin-6-ylprop-2-en-1-one |
| MolecularFormula | C18H12NOBr |
| Smiles | O=C(/C=C/c1cc2cccnc2cc1)c(cc1)ccc1Br |
| InChI | InChI=1S/C18H12BrNO/c19-16-7-5-14(6-8-16)18(21)10-4-13-3-9-17-15(12-13)2-1-11-20-17/h1-12H |
| InChIK | WFRHYYNEEILVAT-UHFFFAOYSA-N |
| TotalMolweight | 338.203 |
| Molweight | 338.203 |
| MonoisotopicMass | 337.010225 |
| CLogP | 4.345 |
| CLogS | -5.38 |
| H Acceptors | 2 |
| TotalSurfaceArea | 229.26 |
| Relative PSA | 0.10473 |
| PolarSurfaceArea | 29.96 |
| Druglikeness | -1.5014 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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