Chemical Name - Di NitroBenzene
Mol Weight - 168.108
Smiles - [O-][N+](c(cccc1)c1[N+]([O-])=O)=O
Mol Weight - 168.108
Smiles - [O-][N+](c(cccc1)c1[N+]([O-])=O)=O
| Property Value | |
| Mol Name | Di NitroBenzene |
| Molweight | 168.108 |
| Monoisotopic Mass | 168.017108 |
| Clogp | -0.1836 |
| Clogs | -2.536 |
| H Acceptors | 6 |
| Total Surface Area | 120.6 |
| Relative Psa | 0.50448 |
| Polar Surface Area | 91.64 |
| Druglikeness | -7.74 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.48392 |
| Molecular Complexity | 0.68239 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 6 |
| Acidic Oxygens | 2 |
| Smiles | [O-][N+](c(cccc1)c1[N+]([O-])=O)=O |
| InChIKey | InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H |
| InChI | IZUKQUVSCNEFMJ-UHFFFAOYSA-N |
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