2-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
Formula:C31H23O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol is not a drug-like molecule.
| MolName | 2-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol |
| MolecularFormula | C31H23O2 |
| Smiles | Oc1c(/C=C/c(cc2)ccc2-c2[o+]c(-c3ccccc3)cc(-c3ccccc3)c2)cccc1 |
| InChI | InChI=1S/C31H22O2/c32-29-14-8-7-11-25(29)18-15-23-16-19-27(20-17-23)31-22-28(24-9-3-1-4-10-24)21-30(33-31)26-12-5-2-6-13-26/h1-22H/p+1 |
| InChIK | OKJYKDQIGPYCKE-UHFFFAOYSA-O |
| TotalMolweight | 427.522 |
| Molweight | 427.522 |
| MonoisotopicMass | 427.169805 |
| CLogP | 7.3203 |
| CLogS | -8.937 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 332.94 |
| Relative PSA | 0.039346 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -5.6932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | pyrylium |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol | 2 - 2-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
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