Chemical Name - 2-Furoic Acid
Mol Weight - 112.084
Smiles - OC(c1ccco1)=O
Mol Weight - 112.084
Smiles - OC(c1ccco1)=O
| Property Value | |
| Mol Name | 2-Furoic Acid |
| Molweight | 112.084 |
| Monoisotopic Mass | 112.016045 |
| Clogp | 0.3334 |
| Clogs | -1.311 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 87.05 |
| Relative Psa | 0.46238 |
| Polar Surface Area | 50.44 |
| Druglikeness | -1.1431 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.3453 |
| Molecular Complexity | 0.7083 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 1 |
| Acidic Oxygens | 1 |
| Smiles | OC(c1ccco1)=O |
| InChIKey | InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7) |
| InChI | SMNDYUVBFMFKNZ-UHFFFAOYSA-N |
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1 - 2-Furoic Acid
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1 - 2-Furoic Acid
2 - 2-Furoic Acid
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