(E)-1-(2-phenylmethoxyphenyl)-3-pyren-4-ylprop-2-en-1-one
Formula:C32H22O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-1-(2-phenylmethoxyphenyl)-3-pyren-4-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(2-phenylmethoxyphenyl)-3-pyren-4-ylprop-2-en-1-one |
| MolecularFormula | C32H22O2 |
| Smiles | O=C(/C=C/c(c1ccc2)cc3cccc4ccc2c1c34)c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C32H22O2/c33-29(28-13-4-5-15-30(28)34-21-22-8-2-1-3-9-22)19-18-25-20-26-12-6-10-23-16-17-24-11-7-14-27(25)32(24)31(23)26/h1-20H,21H2 |
| InChIK | UWKXWDDLKZWNKW-UHFFFAOYSA-N |
| TotalMolweight | 438.525 |
| Molweight | 438.525 |
| MonoisotopicMass | 438.16198 |
| CLogP | 7.6819 |
| CLogS | -9.637 |
| H Acceptors | 2 |
| TotalSurfaceArea | 340.17 |
| Relative PSA | 0.067731 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -0.13751 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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