6-chloro-4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one
Formula:C24H16NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6-chloro-4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one is a drug-like molecule.
| MolName | 6-chloro-4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one |
| MolecularFormula | C24H16NO2Cl |
| Smiles | O=C(/C=C/c1ccccc1)C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O |
| InChI | InChI=1S/C24H16ClNO2/c25-18-12-13-20-19(15-18)22(17-9-5-2-6-10-17)23(24(28)26-20)21(27)14-11-16-7-3-1-4-8-16/h1-15H,(H,26,28) |
| InChIK | FYOQQQWDDUOFAL-UHFFFAOYSA-N |
| TotalMolweight | 385.849 |
| Molweight | 385.849 |
| MonoisotopicMass | 385.086956 |
| CLogP | 4.6658 |
| CLogS | -5.939 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 291.08 |
| Relative PSA | 0.12897 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 3.7191 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.46429 |
| 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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