(2E,5E)-2,5-bis[(3-chlorophenyl)methylidene]cyclopentan-1-one
Formula:C19H14OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5E)-2,5-bis[(3-chlorophenyl)methylidene]cyclopentan-1-one is not a drug-like molecule.
| MolName | (2E,5E)-2,5-bis[(3-chlorophenyl)methylidene]cyclopentan-1-one |
| MolecularFormula | C19H14OCl2 |
| Smiles | O=C(/C(/CC1)=C/c2cc(Cl)ccc2)/C1=C/c1cccc(Cl)c1 |
| InChI | InChI=1S/C19H14Cl2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2 |
| InChIK | DZXQDLISISAPAT-UHFFFAOYSA-N |
| TotalMolweight | 329.225 |
| Molweight | 329.225 |
| MonoisotopicMass | 328.042169 |
| CLogP | 5.708 |
| CLogS | -5.792 |
| H Acceptors | 1 |
| TotalSurfaceArea | 245.05 |
| Relative PSA | 0.053214 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.16697 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
Click to Load Molecule:
1 - (2E,5E)-2,5-bis[(3-chlorophenyl)methylidene]cyclopentan-1-one | 2 - (2E,5E)-2,5-bis[(3-chlorophenyl)methylidene]cyclopentan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off