Chemical Name - Ethyl Isonicotinate
Mol Weight - 151.164
Smiles - CCOC(c1ccncc1)=O
Mol Weight - 151.164
Smiles - CCOC(c1ccncc1)=O
| Property Value | |
| Mol Name | Ethyl Isonicotinate |
| Molweight | 151.164 |
| Monoisotopic Mass | 151.063329 |
| Clogp | 0.978 |
| Clogs | -1.262 |
| H Acceptors | 3 |
| Total Surface Area | 125.79 |
| Relative Psa | 0.27037 |
| Polar Surface Area | 39.19 |
| Druglikeness | -5.2228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.72727 |
| Molecular Flexibility | 0.44787 |
| Molecular Complexity | 0.57807 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Smiles | CCOC(c1ccncc1)=O |
| InChIKey | InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3 |
| InChI | MCRPKBUFXAKDKI-UHFFFAOYSA-N |
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1 - Ethyl Isonicotinate
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