Chemical Name - 2-Picolinic Acid
Mol Weight - 123.111
Smiles - OC(c1ncccc1)=O
Mol Weight - 123.111
Smiles - OC(c1ncccc1)=O
| Property Value | |
| Mol Name | 2-Picolinic Acid |
| Molweight | 123.111 |
| Monoisotopic Mass | 123.032029 |
| Clogp | 0.1978 |
| Clogs | -0.858 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 96.12 |
| Relative Psa | 0.38608 |
| Polar Surface Area | 50.19 |
| Druglikeness | -1.5746 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.4098 |
| Molecular Complexity | 0.72259 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| 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(c1ncccc1)=O |
| InChIKey | InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) |
| InChI | SIOXPEMLGUPBBT-UHFFFAOYSA-N |
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1 - 2-Picolinic Acid
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