(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
Formula:C23H19NO3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one |
| MolecularFormula | C23H19NO3Cl2 |
| Smiles | O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C23H19Cl2NO3/c24-20-3-1-2-19(23(20)25)22-11-9-18(29-22)8-10-21(27)16-4-6-17(7-5-16)26-12-14-28-15-13-26/h1-11H,12-15H2 |
| InChIK | MRPWWQUBTFOASD-UHFFFAOYSA-N |
| TotalMolweight | 428.314 |
| Molweight | 428.314 |
| MonoisotopicMass | 427.074198 |
| CLogP | 5.1237 |
| CLogS | -6.875 |
| H Acceptors | 4 |
| TotalSurfaceArea | 319.4 |
| Relative PSA | 0.12743 |
| PolarSurfaceArea | 42.68 |
| Druglikeness | 3.3815 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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