(E)-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C29H24O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C29H24O4 |
| Smiles | Oc(cc(cc1)OCc2ccccc2)c1C(/C=C/c(cc1)ccc1OCc1ccccc1)=O |
| InChI | InChI=1S/C29H24O4/c30-28(27-17-16-26(19-29(27)31)33-21-24-9-5-2-6-10-24)18-13-22-11-14-25(15-12-22)32-20-23-7-3-1-4-8-23/h1-19,31H,20-21H2 |
| InChIK | OXJNAMHGUAYTFA-UHFFFAOYSA-N |
| TotalMolweight | 436.506 |
| Molweight | 436.506 |
| MonoisotopicMass | 436.16746 |
| CLogP | 5.6543 |
| CLogS | -6.226 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 350.66 |
| Relative PSA | 0.13158 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | -0.090423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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