(3Z)-3-benzylidene-4,5,6,7-tetraphenyl-2-benzofuran-1-one
Formula:C39H26O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-benzylidene-4,5,6,7-tetraphenyl-2-benzofuran-1-one is not a drug-like molecule.
| MolName | (3Z)-3-benzylidene-4,5,6,7-tetraphenyl-2-benzofuran-1-one |
| MolecularFormula | C39H26O2 |
| Smiles | O=C(c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c11)O/C1=C\c1ccccc1 |
| InChI | InChI=1S/C39H26O2/c40-39-38-36(31-24-14-5-15-25-31)34(29-20-10-3-11-21-29)33(28-18-8-2-9-19-28)35(30-22-12-4-13-23-30)37(38)32(41-39)26-27-16-6-1-7-17-27/h1-26H |
| InChIK | JYGNJEJSBNTYKA-UHFFFAOYSA-N |
| TotalMolweight | 526.633 |
| Molweight | 526.633 |
| MonoisotopicMass | 526.19328 |
| CLogP | 9.9473 |
| CLogS | -12.123 |
| H Acceptors | 2 |
| TotalSurfaceArea | 411.02 |
| Relative PSA | 0.056056 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.0238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.34146 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 36 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - (3Z)-3-benzylidene-4,5,6,7-tetraphenyl-2-benzofuran-1-one | 2 - (3Z)-3-benzylidene-4,5,6,7-tetraphenyl-2-benzofuran-1-one
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