N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-bromobenzamide
Formula:C16H11N2O3BrF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-bromobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-bromobenzamide |
| MolecularFormula | C16H11N2O3BrF4 |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C16H11BrF4N2O3/c17-11-4-1-9(2-5-11)14(24)23-22-8-10-3-6-12(25-15(18)19)7-13(10)26-16(20)21/h1-8,15-16H,(H,23,24) |
| InChIK | VNDKJCQCWXMYHC-UHFFFAOYSA-N |
| TotalMolweight | 435.17 |
| Molweight | 435.17 |
| MonoisotopicMass | 433.988916 |
| CLogP | 4.2656 |
| CLogS | -5.799 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.02 |
| Relative PSA | 0.20292 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -0.25945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-bromobenzamide | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-bromobenzamide
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