6-bromo-3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
Formula:C24H15NO2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6-bromo-3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is not a drug-like molecule.
| MolName | 6-bromo-3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one |
| MolecularFormula | C24H15NO2Br2 |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O |
| InChI | InChI=1S/C24H15Br2NO2/c25-17-9-6-15(7-10-17)8-13-21(28)23-22(16-4-2-1-3-5-16)19-14-18(26)11-12-20(19)27-24(23)29/h1-14H,(H,27,29) |
| InChIK | ORKTYYMXNNFWLQ-UHFFFAOYSA-N |
| TotalMolweight | 509.196 |
| Molweight | 509.196 |
| MonoisotopicMass | 506.946951 |
| CLogP | 5.5102 |
| CLogS | -6.871 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 312.92 |
| Relative PSA | 0.11997 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 1.8822 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-bromo-3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one | 2 - 6-bromo-3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off