Chemical Name - Iodoacetic acid
Mol Weight - 185.944
Smiles - OC(CI)=O
Mol Weight - 185.944
Smiles - OC(CI)=O
| Property Value | |
| Mol Name | Iodoacetic acid |
| Molweight | 185.944 |
| Monoisotopic Mass | 185.917778 |
| Clogp | 0.3136 |
| Clogs | -0.583 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 77.64 |
| Relative Psa | 0.33668 |
| Polar Surface Area | 37.3 |
| Druglikeness | -4.187 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.61655 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | OC(CI)=O |
| InChIKey | InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5) |
| InChI | JDNTWHVOXJZDSN-UHFFFAOYSA-N |
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1 - Iodoacetic acid
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