(5E)-2-benzyl-5-benzylidenecyclopentan-1-one
Formula:C19H18O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-2-benzyl-5-benzylidenecyclopentan-1-one is a drug-like molecule.
| MolName | (5E)-2-benzyl-5-benzylidenecyclopentan-1-one |
| MolecularFormula | C19H18O |
| Smiles | O=C(C(Cc1ccccc1)CC1)/C1=C/c1ccccc1 |
| InChI | InChI=1S/C19H18O/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)14-16-9-5-2-6-10-16/h1-10,13,18H,11-12,14H2/t18-/m1/s1 |
| InChIK | PVAYOBPFYZHJKI-GOSISDBHSA-N |
| TotalMolweight | 262.351 |
| Molweight | 262.351 |
| MonoisotopicMass | 262.135765 |
| CLogP | 4.46 |
| CLogS | -4.221 |
| H Acceptors | 1 |
| TotalSurfaceArea | 215.76 |
| Relative PSA | 0.060438 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.24405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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