4-nitro-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
Formula:C14H10N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-nitro-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H10N4O5 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C/c(cccc1)c1[N+]([O-])=O)=O)=O |
| InChI | InChI=1S/C14H10N4O5/c19-14(10-5-7-12(8-6-10)17(20)21)16-15-9-11-3-1-2-4-13(11)18(22)23/h1-9H,(H,16,19) |
| InChIK | IHASHSFBDLQDLH-UHFFFAOYSA-N |
| TotalMolweight | 314.256 |
| Molweight | 314.256 |
| MonoisotopicMass | 314.065121 |
| CLogP | 1.3584 |
| CLogS | -4.641 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 234.33 |
| Relative PSA | 0.41331 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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