(2E,4E)-1,3,4,6-tetraphenylhexa-2,4-diene-1,6-dione
Formula:C30H22O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4E)-1,3,4,6-tetraphenylhexa-2,4-diene-1,6-dione is not a drug-like molecule.
| MolName | (2E,4E)-1,3,4,6-tetraphenylhexa-2,4-diene-1,6-dione |
| MolecularFormula | C30H22O2 |
| Smiles | O=C(/C=C(/C(/c1ccccc1)=C/C(c1ccccc1)=O)\c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C30H22O2/c31-29(25-17-9-3-10-18-25)21-27(23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)22-30(32)26-19-11-4-12-20-26/h1-22H |
| InChIK | ROYPBZQYHFGGFP-UHFFFAOYSA-N |
| TotalMolweight | 414.503 |
| Molweight | 414.503 |
| MonoisotopicMass | 414.16198 |
| CLogP | 6.0712 |
| CLogS | -6.154 |
| H Acceptors | 2 |
| TotalSurfaceArea | 337.46 |
| Relative PSA | 0.077283 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | 0.62534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 20 |
| StereoCon |
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