Chemical Name - Ferulic Acid
Mol Weight - 194.185
Smiles - COc(cc(/C=C/C(O)=O)cc1)c1O
Mol Weight - 194.185
Smiles - COc(cc(/C=C/C(O)=O)cc1)c1O
| Property Value | |
| Mol Name | Ferulic Acid |
| Molweight | 194.185 |
| Monoisotopic Mass | 194.05791 |
| Clogp | 1.0582 |
| Clogs | -1.721 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 152.47 |
| Relative Psa | 0.32295 |
| Polar Surface Area | 66.76 |
| Druglikeness | 0.27506 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.46033 |
| Molecular Complexity | 0.59188 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 4 |
| Acidic Oxygens | 1 |
| Smiles | COc(cc(/C=C/C(O)=O)cc1)c1O |
| InChIKey | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13) |
| InChI | KSEBMYQBYZTDHS-UHFFFAOYSA-N |
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1 - Ferulic Acid
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