(E)-1-(2,5-dichlorophenyl)-3-[3-[(E)-3-(2,5-dichlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
Formula:C24H14O2Cl4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-1-(2,5-dichlorophenyl)-3-[3-[(E)-3-(2,5-dichlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(2,5-dichlorophenyl)-3-[3-[(E)-3-(2,5-dichlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one |
| MolecularFormula | C24H14O2Cl4 |
| Smiles | O=C(/C=C/c1cccc(/C=C/C(c(cc(cc2)Cl)c2Cl)=O)c1)c(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C24H14Cl4O2/c25-17-6-8-21(27)19(13-17)23(29)10-4-15-2-1-3-16(12-15)5-11-24(30)20-14-18(26)7-9-22(20)28/h1-14H |
| InChIK | QFOCZKABBXHNMD-UHFFFAOYSA-N |
| TotalMolweight | 476.185 |
| Molweight | 476.185 |
| MonoisotopicMass | 473.974788 |
| CLogP | 7.372 |
| CLogS | -9.008 |
| H Acceptors | 2 |
| TotalSurfaceArea | 342.96 |
| Relative PSA | 0.076044 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | 0.19772 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 14 |
| StereoCon |
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1 - (E)-1-(2,5-dichlorophenyl)-3-[3-[(E)-3-(2,5-dichlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one | 2 - (E)-1-(2,5-dichlorophenyl)-3-[3-[(E)-3-(2,5-dichlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
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