(2E,5E)-2,5-bis[(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]cyclopentan-1-one
Formula:C33H28O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5E)-2,5-bis[(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]cyclopentan-1-one is not a drug-like molecule.
| MolName | (2E,5E)-2,5-bis[(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]cyclopentan-1-one |
| MolecularFormula | C33H28O |
| Smiles | O=C(/C(/CC1)=C/C(C2C=CC3C2)=C3c2ccccc2)/C1=C/C(C1C=CC2C1)=C2c1ccccc1 |
| InChI | InChI=1S/C33H28O/c34-33-27(19-29-23-11-13-25(17-23)31(29)21-7-3-1-4-8-21)15-16-28(33)20-30-24-12-14-26(18-24)32(30)22-9-5-2-6-10-22/h1-14,19-20,23-26H,15-18H2 |
| InChIK | IDIDRKGFOZJHDJ-UHFFFAOYSA-N |
| TotalMolweight | 440.584 |
| Molweight | 440.584 |
| MonoisotopicMass | 440.214015 |
| CLogP | 6.5088 |
| CLogS | -5.718 |
| H Acceptors | 1 |
| TotalSurfaceArea | 336.57 |
| Relative PSA | 0.038744 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.32529 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 7 |
| Small Rings | 9 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 18 |
| StereoCon | unknown chirality |
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1 - (2E,5E)-2,5-bis[(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]cyclopentan-1-one | 2 - (2E,5E)-2,5-bis[(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]cyclopentan-1-one
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