(3E,4E)-3,4-dibenzylidenecyclopentan-1-one
Formula:C19H16O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E,4E)-3,4-dibenzylidenecyclopentan-1-one is a drug-like molecule.
| MolName | (3E,4E)-3,4-dibenzylidenecyclopentan-1-one |
| MolecularFormula | C19H16O |
| Smiles | O=C(C/C1=C\c2ccccc2)C/C1=C\c1ccccc1 |
| InChI | InChI=1S/C19H16O/c20-19-13-17(11-15-7-3-1-4-8-15)18(14-19)12-16-9-5-2-6-10-16/h1-12H,13-14H2 |
| InChIK | OATKHHFUNSQQMG-UHFFFAOYSA-N |
| TotalMolweight | 260.335 |
| Molweight | 260.335 |
| MonoisotopicMass | 260.120115 |
| CLogP | 4.496 |
| CLogS | -4.32 |
| H Acceptors | 1 |
| TotalSurfaceArea | 214.21 |
| Relative PSA | 0.060875 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.15596 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 11 |
| StereoCon |
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