Chemical Name - 3-Chloropropionic acid
Mol Weight - 108.524
Smiles - OC(CCCl)=O
Mol Weight - 108.524
Smiles - OC(CCCl)=O
| Property Value | |
| Mol Name | 3-Chloropropionic acid |
| Molweight | 108.524 |
| Monoisotopic Mass | 107.997807 |
| Clogp | 0.3846 |
| Clogs | -1.13 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 80.54 |
| Relative Psa | 0.32456 |
| Polar Surface Area | 37.3 |
| Druglikeness | -3.7226 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.83333 |
| Molecular Flexibility | 0.84809 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 3 |
| Acidic Oxygens | 1 |
| Smiles | OC(CCCl)=O |
| InChIKey | InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6) |
| InChI | QEYMMOKECZBKAC-UHFFFAOYSA-N |
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1 - 3-Chloropropionic acid
2 - 3-Chloropropionic acid
1 - 3-Chloropropionic acid
2 - 3-Chloropropionic acid
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