Chemical Name - Fumaric Acid
Mol Weight - 116.072
Smiles - OC(/C=C/C(O)=O)=O
Mol Weight - 116.072
Smiles - OC(/C=C/C(O)=O)=O
| Property Value | |
| Mol Name | Fumaric Acid |
| Molweight | 116.072 |
| Monoisotopic Mass | 116.01096 |
| Clogp | -0.9188 |
| Clogs | -0.246 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 88.2 |
| Relative Psa | 0.59274 |
| Polar Surface Area | 74.6 |
| Druglikeness | 1.9085 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.47482 |
| Molecular Complexity | 0.64864 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 4 |
| Acidic Oxygens | 2 |
| Smiles | OC(/C=C/C(O)=O)=O |
| InChIKey | |
| InChI | C4H4O4 |
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1 - Fumaric Acid
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