4-phenoxy-3-[(E)-2-phenylethenyl]chromen-2-one
Formula:C23H16O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-phenoxy-3-[(E)-2-phenylethenyl]chromen-2-one is not a drug-like molecule.
| MolName | 4-phenoxy-3-[(E)-2-phenylethenyl]chromen-2-one |
| MolecularFormula | C23H16O3 |
| Smiles | O=C1Oc(cccc2)c2C(Oc2ccccc2)=C1/C=C/c1ccccc1 |
| InChI | InChI=1S/C23H16O3/c24-23-20(16-15-17-9-3-1-4-10-17)22(25-18-11-5-2-6-12-18)19-13-7-8-14-21(19)26-23/h1-16H |
| InChIK | RFVUZXBWJYCODZ-UHFFFAOYSA-N |
| TotalMolweight | 340.377 |
| Molweight | 340.377 |
| MonoisotopicMass | 340.109945 |
| CLogP | 5.2738 |
| CLogS | -5.024 |
| H Acceptors | 3 |
| TotalSurfaceArea | 266.45 |
| Relative PSA | 0.124 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -0.29352 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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