3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
Formula:C24H16NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is a drug-like molecule.
| MolName | 3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one |
| MolecularFormula | C24H16NO2F |
| Smiles | O=C(/C=C/c(cc1)ccc1F)C1=C(c2ccccc2)c(cccc2)c2NC1=O |
| InChI | InChI=1S/C24H16FNO2/c25-18-13-10-16(11-14-18)12-15-21(27)23-22(17-6-2-1-3-7-17)19-8-4-5-9-20(19)26-24(23)28/h1-15H,(H,26,28) |
| InChIK | ZWRZNDAJWCTKKD-UHFFFAOYSA-N |
| TotalMolweight | 369.394 |
| Molweight | 369.394 |
| MonoisotopicMass | 369.116507 |
| CLogP | 4.1606 |
| CLogS | -5.517 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 282.01 |
| Relative PSA | 0.13312 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 2.3322 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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