Chemical Name - Cyclobutanecarboxylic acid
Mol Weight - 100.117
Smiles - OC(C1CCC1)=O
Mol Weight - 100.117
Smiles - OC(C1CCC1)=O
| Property Value | |
| Mol Name | Cyclobutanecarboxylic acid |
| Molweight | 100.117 |
| Monoisotopic Mass | 100.05243 |
| Clogp | 0.361 |
| Clogs | -1.245 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 77.88 |
| Relative Psa | 0.33564 |
| Polar Surface Area | 37.3 |
| Druglikeness | -2.3966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.58694 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 1 |
| Acidic Oxygens | 1 |
| Smiles | OC(C1CCC1)=O |
| InChIKey | InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7) |
| InChI | TXWOGHSRPAYOML-UHFFFAOYSA-N |
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2 - Cyclobutanecarboxylic acid
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