Chemical Name - Gallic Acid
Mol Weight - 170.12
Smiles - OC(c(cc1O)cc(O)c1O)=O
Mol Weight - 170.12
Smiles - OC(c(cc1O)cc(O)c1O)=O
| Property Value | |
| Mol Name | Gallic Acid |
| Molweight | 170.12 |
| Monoisotopic Mass | 170.021525 |
| Clogp | 0.1076 |
| Clogs | -0.741 |
| H Acceptors | 5 |
| H Donors | 4 |
| Total Surface Area | 116.41 |
| Relative Psa | 0.56215 |
| Polar Surface Area | 97.99 |
| Druglikeness | -1.8442 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.33783 |
| Molecular Complexity | 0.64864 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 3 |
| Acidic Oxygens | 1 |
| Smiles | OC(c(cc1O)cc(O)c1O)=O |
| InChIKey | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| InChI | LNTHITQWFMADLM-UHFFFAOYSA-N |
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1 - Gallic Acid
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