Chemical Name - Propyl gallate
Mol Weight - 212.2
Smiles - CCCOC(c(cc1O)cc(O)c1O)=O
Mol Weight - 212.2
Smiles - CCCOC(c(cc1O)cc(O)c1O)=O
| Property Value | |
| Mol Name | Propyl gallate |
| Molweight | 212.2 |
| Monoisotopic Mass | 212.068475 |
| Clogp | 1.3962 |
| Clogs | -1.439 |
| H Acceptors | 5 |
| H Donors | 3 |
| Total Surface Area | 159.84 |
| Relative Psa | 0.39002 |
| Polar Surface Area | 86.99 |
| Druglikeness | -1.5944 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.45284 |
| Molecular Complexity | 0.61487 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 3 |
| Smiles | CCCOC(c(cc1O)cc(O)c1O)=O |
| InChIKey | InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3 |
| InChI | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
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1 - Propyl gallate
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