4-bromo-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
Formula:C15H11N2O2BrF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C15H11N2O2BrF2 |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C15H11BrF2N2O2/c16-12-7-5-10(6-8-12)14(21)20-19-9-11-3-1-2-4-13(11)22-15(17)18/h1-9,15H,(H,20,21) |
| InChIK | JOWJGNJJBBOZAE-UHFFFAOYSA-N |
| TotalMolweight | 369.164 |
| Molweight | 369.164 |
| MonoisotopicMass | 367.997195 |
| CLogP | 4.0962 |
| CLogS | -5.177 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.82 |
| Relative PSA | 0.19106 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -0.25945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]benzamide | 2 - 4-bromo-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
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