2-phenyl-6-[(E)-3-phenylprop-2-enoyl]chromen-4-one
Formula:C24H16O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenyl-6-[(E)-3-phenylprop-2-enoyl]chromen-4-one is not a drug-like molecule.
| MolName | 2-phenyl-6-[(E)-3-phenylprop-2-enoyl]chromen-4-one |
| MolecularFormula | C24H16O3 |
| Smiles | O=C(/C=C/c1ccccc1)c(cc1)cc2c1OC(c1ccccc1)=CC2=O |
| InChI | InChI=1S/C24H16O3/c25-21(13-11-17-7-3-1-4-8-17)19-12-14-23-20(15-19)22(26)16-24(27-23)18-9-5-2-6-10-18/h1-16H |
| InChIK | JDYBBHSCNGXNLQ-UHFFFAOYSA-N |
| TotalMolweight | 352.388 |
| Molweight | 352.388 |
| MonoisotopicMass | 352.109945 |
| CLogP | 5.017 |
| CLogS | -5.968 |
| H Acceptors | 3 |
| TotalSurfaceArea | 275.99 |
| Relative PSA | 0.13073 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | 0.50531 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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