(2E,4E)-2,4-dibenzylidenecyclobutan-1-one
Formula:C18H14O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4E)-2,4-dibenzylidenecyclobutan-1-one is a drug-like molecule.
| MolName | (2E,4E)-2,4-dibenzylidenecyclobutan-1-one |
| MolecularFormula | C18H14O |
| Smiles | O=C(/C(/C1)=C/c2ccccc2)/C1=C/c1ccccc1 |
| InChI | InChI=1S/C18H14O/c19-18-16(11-14-7-3-1-4-8-14)13-17(18)12-15-9-5-2-6-10-15/h1-12H,13H2 |
| InChIK | ZKTLTVCDJXWELP-UHFFFAOYSA-N |
| TotalMolweight | 246.308 |
| Molweight | 246.308 |
| MonoisotopicMass | 246.104465 |
| CLogP | 4.154 |
| CLogS | -4.05 |
| H Acceptors | 1 |
| TotalSurfaceArea | 200.45 |
| Relative PSA | 0.065054 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.80595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| StereoCon |
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