(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C24H20O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C24H20O4 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCCO2)c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C24H20O4/c25-21(12-10-18-11-13-23-24(16-18)27-15-14-26-23)20-8-4-5-9-22(20)28-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2 |
| InChIK | TYWWUXORZPJQEN-UHFFFAOYSA-N |
| TotalMolweight | 372.419 |
| Molweight | 372.419 |
| MonoisotopicMass | 372.13616 |
| CLogP | 4.6307 |
| CLogS | -5.363 |
| H Acceptors | 4 |
| TotalSurfaceArea | 294.81 |
| Relative PSA | 0.14599 |
| PolarSurfaceArea | 44.76 |
| Druglikeness | -7.0175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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