4-nitro-N-[(Z)-nitromethylideneamino]aniline
Formula:C7H6N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-nitromethylideneamino]aniline is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-nitromethylideneamino]aniline |
| MolecularFormula | C7H6N4O4 |
| Smiles | [O-][N+](/C=N\Nc(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C7H6N4O4/c12-10(13)5-8-9-6-1-3-7(4-2-6)11(14)15/h1-5,9H |
| InChIK | DCKGAGIKLJESHL-UHFFFAOYSA-N |
| TotalMolweight | 210.149 |
| Molweight | 210.149 |
| MonoisotopicMass | 210.038906 |
| CLogP | 1.0514 |
| CLogS | -2.724 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 156.82 |
| Relative PSA | 0.53443 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -4.4688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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