4-[(E)-(4,6-diphenylthiopyran-2-ylidene)methyl]-2,6-diphenylpyrylium
Formula:C35H25OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-(4,6-diphenylthiopyran-2-ylidene)methyl]-2,6-diphenylpyrylium is not a drug-like molecule.
| MolName | 4-[(E)-(4,6-diphenylthiopyran-2-ylidene)methyl]-2,6-diphenylpyrylium |
| MolecularFormula | C35H25OS |
| Smiles | C(c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1)=C1/SC(c2ccccc2)=CC(c2ccccc2)=C1 |
| InChI | InChI=1S/C35H25OS/c1-5-13-27(14-6-1)31-24-32(37-35(25-31)30-19-11-4-12-20-30)21-26-22-33(28-15-7-2-8-16-28)36-34(23-26)29-17-9-3-10-18-29/h1-25H/q+1 |
| InChIK | VVSVERVZBLVLIR-UHFFFAOYSA-N |
| TotalMolweight | 493.649 |
| Molweight | 493.649 |
| MonoisotopicMass | 493.16261 |
| CLogP | 8.4241 |
| CLogS | -7.919 |
| H Acceptors | 1 |
| TotalSurfaceArea | 378.21 |
| Relative PSA | 0.046244 |
| PolarSurfaceArea | 25.3 |
| Druglikeness | -3.1402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | pyrylium |
| Shape Index | 0.40541 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 1 |
| Symmetricatoms | 14 |
| StereoCon |
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