(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-diol
Formula:C18H18O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-diol is a drug-like molecule.
| MolName | (1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-diol |
| MolecularFormula | C18H18O2 |
| Smiles | OC(C(/C=C/c1ccccc1)O)/C=C/c1ccccc1 |
| InChI | InChI=1S/C18H18O2/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16/h1-14,17-20H |
| InChIK | AVIIWHKOUNFPIY-UHFFFAOYSA-N |
| TotalMolweight | 266.339 |
| Molweight | 266.339 |
| MonoisotopicMass | 266.13068 |
| CLogP | 3.3884 |
| CLogS | -3.806 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 223.72 |
| Relative PSA | 0.11711 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -0.62266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| StereoCon | unknown chirality |
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1 - (1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-diol | 2 - (1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-diol
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