3-[2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetyl]chromen-2-one
Formula:C26H18O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetyl]chromen-2-one is a drug-like molecule.
| MolName | 3-[2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetyl]chromen-2-one |
| MolecularFormula | C26H18O5 |
| Smiles | O=C(COc1ccc(/C=C/C(c2ccccc2)=O)cc1)C1=Cc(cccc2)c2OC1=O |
| InChI | InChI=1S/C26H18O5/c27-23(19-6-2-1-3-7-19)15-12-18-10-13-21(14-11-18)30-17-24(28)22-16-20-8-4-5-9-25(20)31-26(22)29/h1-16H,17H2 |
| InChIK | WKVSQMZZRJLJJT-UHFFFAOYSA-N |
| TotalMolweight | 410.424 |
| Molweight | 410.424 |
| MonoisotopicMass | 410.115425 |
| CLogP | 4.0019 |
| CLogS | -5.59 |
| H Acceptors | 5 |
| TotalSurfaceArea | 317.5 |
| Relative PSA | 0.1862 |
| PolarSurfaceArea | 69.67 |
| Druglikeness | -0.62774 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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