N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-3-nitrobenzamide
Formula:C15H10N4O6F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C15H10N4O6F2 |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c(cc(cc2)[N+]([O-])=O)c2OC(F)F)=O)c1)=O |
| InChI | InChI=1S/C15H10F2N4O6/c16-15(17)27-13-5-4-12(21(25)26)7-10(13)8-18-19-14(22)9-2-1-3-11(6-9)20(23)24/h1-8,15H,(H,19,22) |
| InChIK | IMYPLDOQEWIVTE-UHFFFAOYSA-N |
| TotalMolweight | 380.262 |
| Molweight | 380.262 |
| MonoisotopicMass | 380.056842 |
| CLogP | 1.5278 |
| CLogS | -5.263 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 269.53 |
| Relative PSA | 0.39643 |
| PolarSurfaceArea | 142.33 |
| Druglikeness | -3.6419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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