N-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-2,6-difluorobenzamide
Formula:C22H14N2O2F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-2,6-difluorobenzamide is not a drug-like molecule.
| MolName | N-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-2,6-difluorobenzamide |
| MolecularFormula | C22H14N2O2F2 |
| Smiles | O=C(c(c(F)ccc1)c1F)Nc1ccc(/C=C/c2nc(cccc3)c3o2)cc1 |
| InChI | InChI=1S/C22H14F2N2O2/c23-16-4-3-5-17(24)21(16)22(27)25-15-11-8-14(9-12-15)10-13-20-26-18-6-1-2-7-19(18)28-20/h1-13H,(H,25,27) |
| InChIK | ITYQHBKGMDYQOB-UHFFFAOYSA-N |
| TotalMolweight | 376.361 |
| Molweight | 376.361 |
| MonoisotopicMass | 376.102334 |
| CLogP | 5.117 |
| CLogS | -6.021 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.24 |
| Relative PSA | 0.17443 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | -0.17949 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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