(E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one
Formula:C23H14O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C23H14O3Cl2 |
| Smiles | O=C(/C=C/c1ccc(-c(cccc2)c2Cl)o1)c1ccc(-c2cc(Cl)ccc2)o1 |
| InChI | InChI=1S/C23H14Cl2O3/c24-16-5-3-4-15(14-16)21-12-13-23(28-21)20(26)10-8-17-9-11-22(27-17)18-6-1-2-7-19(18)25/h1-14H |
| InChIK | JTGFSOZNHSYUQT-UHFFFAOYSA-N |
| TotalMolweight | 409.267 |
| Molweight | 409.267 |
| MonoisotopicMass | 408.031999 |
| CLogP | 6.3936 |
| CLogS | -8.232 |
| H Acceptors | 3 |
| TotalSurfaceArea | 307.01 |
| Relative PSA | 0.13439 |
| PolarSurfaceArea | 43.35 |
| Druglikeness | 2.1197 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| StereoCon |
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1 - (E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one | 2 - (E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one
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