Chemical Name - 2-Chloropropionic acid
Mol Weight - 108.524
Smiles - CC(C(O)=O)Cl
Mol Weight - 108.524
Smiles - CC(C(O)=O)Cl
| Property Value | |
| Mol Name | 2-Chloropropionic acid |
| Molweight | 108.524 |
| Monoisotopic Mass | 107.997807 |
| Clogp | 0.3366 |
| Clogs | -1.056 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 77.78 |
| Relative Psa | 0.33608 |
| Polar Surface Area | 37.3 |
| Druglikeness | -5.241 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.63462 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 1 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 3 |
| Acidic Oxygens | 1 |
| Smiles | CC(C(O)=O)Cl |
| InChIKey | InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6) |
| InChI | GAWAYYRQGQZKCR-UHFFFAOYSA-N |
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1 - 2-Chloropropionic acid
2 - 2-Chloropropionic acid
1 - 2-Chloropropionic acid
2 - 2-Chloropropionic acid
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