(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]oxan-4-one
Formula:C19H14O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]oxan-4-one is a drug-like molecule.
| MolName | (3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]oxan-4-one |
| MolecularFormula | C19H14O2Cl2 |
| Smiles | O=C(/C(/COC1)=C/c(cc2)ccc2Cl)/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H14Cl2O2/c20-17-5-1-13(2-6-17)9-15-11-23-12-16(19(15)22)10-14-3-7-18(21)8-4-14/h1-10H,11-12H2 |
| InChIK | LWXYASRININMSA-UHFFFAOYSA-N |
| TotalMolweight | 345.224 |
| Molweight | 345.224 |
| MonoisotopicMass | 344.037084 |
| CLogP | 4.886 |
| CLogS | -5.173 |
| H Acceptors | 2 |
| TotalSurfaceArea | 255.05 |
| Relative PSA | 0.090335 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.3305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| StereoCon |
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1 - (3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]oxan-4-one | 2 - (3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]oxan-4-one
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