| MolName | 6-chloro-3-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one |
| MolecularFormula | C24H14NO2Cl2F |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O |
| InChI | InChI=1S/C24H14Cl2FNO2/c25-15-9-11-20-17(13-15)22(14-5-2-1-3-6-14)23(24(30)28-20)21(29)12-10-16-18(26)7-4-8-19(16)27/h1-13H,(H,28,30) |
| InChIK | VFQDPWUHNVOCHI-UHFFFAOYSA-N |
| TotalMolweight | 438.284 |
| Molweight | 438.284 |
| MonoisotopicMass | 437.038561 |
| CLogP | 5.3726 |
| CLogS | -6.989 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 312.85 |
| Relative PSA | 0.11999 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 2.3791 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 6-chloro-3-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one | 2 - 6-chloro-3-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one