Mol Weight - 218.189
Smiles - Nc(ccc(S(O)(=O)=O)c1)c1[N+]([O-])=O
| Property Name | Property Value |
| Mol Name | Ortho Nitro Aniline Para Sulphonic Acid |
| Molweight | 218.189 |
| Monoisotopic Mass | 217.999743 |
| Clogp | -2.1686 |
| Clogs | -0.758 |
| H Acceptors | 7 |
| H Donors | 2 |
| Total Surface Area | 140.38 |
| Relative Psa | 0.62238 |
| Polar Surface Area | 134.59 |
| Druglikeness | -13.598 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.52576 |
| Molecular Complexity | 0.69862 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Acidic Oxygens | 2 |
| Smiles | Nc(ccc(S(O)(=O)=O)c1)c1[N+]([O-])=O |
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1 — Ortho Nitro Aniline Para Sulphonic Acid | 2 — Ortho Nitro Aniline Para Sulphonic Acid