Chemical Name - Propionic Acid
Mol Weight - 74.0786
Smiles - CCC(O)=O
Mol Weight - 74.0786
Smiles - CCC(O)=O
| Property Value | |
| Mol Name | Propionic Acid |
| Molweight | 74.0786 |
| Monoisotopic Mass | 74.03678 |
| Clogp | 0.1553 |
| Clogs | -0.729 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 63.62 |
| Relative Psa | 0.41088 |
| Polar Surface Area | 37.3 |
| Druglikeness | -1.5364 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.74369 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 3 |
| Acidic Oxygens | 1 |
| Smiles | CCC(O)=O |
| InChIKey | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
| InChI | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
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1 - Propionic Acid
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