[4-[(4-fluorophenyl)iminomethyl]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate
Formula:C22H15NO2ClF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(4-fluorophenyl)iminomethyl]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | [4-[(4-fluorophenyl)iminomethyl]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate |
| MolecularFormula | C22H15NO2ClF |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Oc1ccc(/C=N/c(cc2)ccc2F)cc1 |
| InChI | InChI=1S/C22H15ClFNO2/c23-21-4-2-1-3-17(21)7-14-22(26)27-20-12-5-16(6-13-20)15-25-19-10-8-18(24)9-11-19/h1-15H |
| InChIK | JSYRFZOWNMQQCD-UHFFFAOYSA-N |
| TotalMolweight | 379.817 |
| Molweight | 379.817 |
| MonoisotopicMass | 379.077534 |
| CLogP | 5.4999 |
| CLogS | -6.048 |
| H Acceptors | 3 |
| TotalSurfaceArea | 293.56 |
| Relative PSA | 0.11769 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -3.421 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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