(E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-phenoxyanilino)prop-2-en-1-one
Formula:C28H21NO3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-phenoxyanilino)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-phenoxyanilino)prop-2-en-1-one |
| MolecularFormula | C28H21NO3ClF |
| Smiles | O=C(/C=C/Nc(cc1)ccc1Oc1ccccc1)c1cccc(OCc(c(F)ccc2)c2Cl)c1 |
| InChI | InChI=1S/C28H21ClFNO3/c29-26-10-5-11-27(30)25(26)19-33-24-9-4-6-20(18-24)28(32)16-17-31-21-12-14-23(15-13-21)34-22-7-2-1-3-8-22/h1-18,31H,19H2 |
| InChIK | GKNVRXDXUWTDPN-UHFFFAOYSA-N |
| TotalMolweight | 473.93 |
| Molweight | 473.93 |
| MonoisotopicMass | 473.119399 |
| CLogP | 5.925 |
| CLogS | -8.474 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 363.78 |
| Relative PSA | 0.12233 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -0.93876 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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