N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzamide
Formula:C15H11N3O4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C15H11N3O4F2 |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c(cccc2)c2OC(F)F)=O)c1)=O |
| InChI | InChI=1S/C15H11F2N3O4/c16-15(17)24-13-7-2-1-4-11(13)9-18-19-14(21)10-5-3-6-12(8-10)20(22)23/h1-9,15H,(H,19,21) |
| InChIK | GQJYOCYQLLZQRT-UHFFFAOYSA-N |
| TotalMolweight | 335.265 |
| Molweight | 335.265 |
| MonoisotopicMass | 335.071763 |
| CLogP | 2.4494 |
| CLogS | -4.803 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 245.86 |
| Relative PSA | 0.31087 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -3.6419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzamide | 2 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzamide
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