(E)-3-(3-bromophenyl)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
Formula:C22H14N2OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromophenyl)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine is not a drug-like molecule.
| MolName | (E)-3-(3-bromophenyl)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine |
| MolecularFormula | C22H14N2OBrF |
| Smiles | Fc1cccc(-c2nc(cc(cc3)/N=C/C=C/c4cccc(Br)c4)c3o2)c1 |
| InChI | InChI=1S/C22H14BrFN2O/c23-17-7-1-4-15(12-17)5-3-11-25-19-9-10-21-20(14-19)26-22(27-21)16-6-2-8-18(24)13-16/h1-14H |
| InChIK | RILVYEOPFIYBDY-UHFFFAOYSA-N |
| TotalMolweight | 421.268 |
| Molweight | 421.268 |
| MonoisotopicMass | 420.027352 |
| CLogP | 5.5325 |
| CLogS | -7.588 |
| H Acceptors | 3 |
| TotalSurfaceArea | 292.07 |
| Relative PSA | 0.12528 |
| PolarSurfaceArea | 38.39 |
| Druglikeness | -3.1252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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