(E)-1-(3-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]methanimine
Formula:C14H10N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]methanimine is a drug-like molecule.
| MolName | (E)-1-(3-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]methanimine |
| MolecularFormula | C14H10N4O4 |
| Smiles | [O-][N+](c1cccc(/C=N/N=C\c2cccc([N+]([O-])=O)c2)c1)=O |
| InChI | InChI=1S/C14H10N4O4/c19-17(20)13-5-1-3-11(7-13)9-15-16-10-12-4-2-6-14(8-12)18(21)22/h1-10H |
| InChIK | OFKOPKJTGHUWLZ-UHFFFAOYSA-N |
| TotalMolweight | 298.257 |
| Molweight | 298.257 |
| MonoisotopicMass | 298.070206 |
| CLogP | 2.9424 |
| CLogS | -5.052 |
| H Acceptors | 8 |
| TotalSurfaceArea | 229.88 |
| Relative PSA | 0.3648 |
| PolarSurfaceArea | 116.36 |
| Druglikeness | -3.8224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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