2-hydroxy-3,5-dinitro-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
Formula:C14H9N5O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-3,5-dinitro-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-hydroxy-3,5-dinitro-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N5O8 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2O)=O)cc1)=O |
| InChI | InChI=1S/C14H9N5O8/c20-13-11(5-10(18(24)25)6-12(13)19(26)27)14(21)16-15-7-8-1-3-9(4-2-8)17(22)23/h1-7,20H,(H,16,21) |
| InChIK | REYZLNIDNQPXKS-UHFFFAOYSA-N |
| TotalMolweight | 375.252 |
| Molweight | 375.252 |
| MonoisotopicMass | 375.045115 |
| CLogP | 0.0911 |
| CLogS | -4.805 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 264.35 |
| Relative PSA | 0.531 |
| PolarSurfaceArea | 199.15 |
| Druglikeness | -0.78017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 3 |
| StereoCon |
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1 - 2-hydroxy-3,5-dinitro-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide | 2 - 2-hydroxy-3,5-dinitro-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
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