Chemical Name - 2-Nitroresorcinol
Mol Weight - 155.109
Smiles - [O-][N+](c(c(O)ccc1)c1O)=O
Mol Weight - 155.109
Smiles - [O-][N+](c(c(O)ccc1)c1O)=O
| Property Value | |
| Mol Name | 2-Nitroresorcinol |
| Molweight | 155.109 |
| Monoisotopic Mass | 155.021859 |
| Clogp | 0.0466 |
| Clogs | -1.484 |
| H Acceptors | 5 |
| H Donors | 2 |
| Total Surface Area | 109.63 |
| Relative Psa | 0.51646 |
| Polar Surface Area | 86.28 |
| Druglikeness | -7.5665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.54545 |
| Molecular Flexibility | 0.35822 |
| Molecular Complexity | 0.68024 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 3 |
| Acidic Oxygens | 1 |
| Smiles | [O-][N+](c(c(O)ccc1)c1O)=O |
| InChIKey | InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H |
| InChI | ZLCPKMIJYMHZMJ-UHFFFAOYSA-N |
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