(E)-1-[2,4-bis(phenylmethoxy)phenyl]-3-phenylprop-2-en-1-one
Formula:C29H24O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2,4-bis(phenylmethoxy)phenyl]-3-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[2,4-bis(phenylmethoxy)phenyl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C29H24O3 |
| Smiles | O=C(/C=C/c1ccccc1)c(ccc(OCc1ccccc1)c1)c1OCc1ccccc1 |
| InChI | InChI=1S/C29H24O3/c30-28(19-16-23-10-4-1-5-11-23)27-18-17-26(31-21-24-12-6-2-7-13-24)20-29(27)32-22-25-14-8-3-9-15-25/h1-20H,21-22H2 |
| InChIK | XHJLHHXYYUYSIH-UHFFFAOYSA-N |
| TotalMolweight | 420.507 |
| Molweight | 420.507 |
| MonoisotopicMass | 420.172545 |
| CLogP | 6 |
| CLogS | -6.522 |
| H Acceptors | 3 |
| TotalSurfaceArea | 344.31 |
| Relative PSA | 0.09596 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -0.13751 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (E)-1-[2,4-bis(phenylmethoxy)phenyl]-3-phenylprop-2-en-1-one | 2 - (E)-1-[2,4-bis(phenylmethoxy)phenyl]-3-phenylprop-2-en-1-one
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