Mol Weight - 211.982
Smiles - COC(C=CI)=O
| Property Name | Property Value |
| Mol Name | 3-Iodopropenoic acid methyl ester |
| Molweight | 211.982 |
| Monoisotopic Mass | 211.933428 |
| Clogp | 0.9044 |
| Clogs | -0.927 |
| H Acceptors | 2 |
| Total Surface Area | 106.29 |
| Relative Psa | 0.21677 |
| Polar Surface Area | 26.3 |
| Druglikeness | -3.8394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 3 |
| Shape Index | 0.85714 |
| Molecular Flexibility | 0.38377 |
| Molecular Complexity | 0.59725 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 2 |
| Smiles | COC(C=CI)=O |
| InChIKey | InChI=1S/C4H5IO2/c1-7-4(6)2-3-5/h2-3H,1H3 |
| InChI | SUQXOFVGKSUSSM-UHFFFAOYSA-N |
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1 — 3-Iodopropenoic acid methyl ester | 2 — 3-Iodopropenoic acid methyl ester