Mol Weight - 201.565
Smiles - [O-][N+](c(cc1)cc(C(O)=O)c1Cl)=O
| Property Name | Property Value |
| Mol Name | 2-Chloro-5-nitrobenzoic Acid |
| Molweight | 201.565 |
| Monoisotopic Mass | 200.982886 |
| Clogp | 0.8291 |
| Clogs | -2.825 |
| H Acceptors | 5 |
| H Donors | 1 |
| Total Surface Area | 136.45 |
| Relative Psa | 0.41451 |
| Polar Surface Area | 83.12 |
| Druglikeness | -6.775 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.53846 |
| Molecular Flexibility | 0.46237 |
| Molecular Complexity | 0.71958 |
| Fragments | 1 |
| Non H Atoms | 13 |
| 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 |
| Acidic Oxygens | 2 |
| Smiles | [O-][N+](c(cc1)cc(C(O)=O)c1Cl)=O |
| InChIKey | InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11) |
| InChI | QUEKGYQTRJVEQC-UHFFFAOYSA-N |
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1 — 2-Chloro-5-nitrobenzoic Acid | 2 — 2-Chloro-5-nitrobenzoic Acid