2-[(E)-2-(2-bromophenyl)ethenyl]-1H-quinolin-4-one
Formula:C17H12NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2-bromophenyl)ethenyl]-1H-quinolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(2-bromophenyl)ethenyl]-1H-quinolin-4-one |
| MolecularFormula | C17H12NOBr |
| Smiles | O=C1c(cccc2)c2NC(/C=C/c(cccc2)c2Br)=C1 |
| InChI | InChI=1S/C17H12BrNO/c18-15-7-3-1-5-12(15)9-10-13-11-17(20)14-6-2-4-8-16(14)19-13/h1-11H,(H,19,20) |
| InChIK | ZSOVOXCRWUFBBR-UHFFFAOYSA-N |
| TotalMolweight | 326.192 |
| Molweight | 326.192 |
| MonoisotopicMass | 325.010225 |
| CLogP | 4.0261 |
| CLogS | -5.33 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 218.57 |
| Relative PSA | 0.11209 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.26004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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