Mol Weight - 192.001
Smiles - OC(c1cc(Cl)ncc1Cl)=O
| Property Name | Property Value |
| Mol Name | 2,5-Dichloro Isonicotinic Acid |
| Molweight | 192.001 |
| Monoisotopic Mass | 190.954083 |
| Clogp | 1.4532 |
| Clogs | -2.069 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 126.96 |
| Relative Psa | 0.2923 |
| Polar Surface Area | 50.19 |
| Druglikeness | -1.4266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Shape Index | 0.54545 |
| Molecular Flexibility | 0.35822 |
| Molecular Complexity | 0.76573 |
| 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 | 1 |
| Aromatic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | OC(c1cc(Cl)ncc1Cl)=O |
| InChIKey | InChI=1S/C6H3Cl2NO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11) |
| InChI | GFOVTTQVBDEYPP-UHFFFAOYSA-N |
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1 — 2,5-Dichloro Isonicotinic Acid | 2 — 2,5-Dichloro Isonicotinic Acid