Chemical Name - Cyanoacetic Acid
Mol Weight - 85.0618
Smiles - N#CCC(O)=O
Mol Weight - 85.0618
Smiles - N#CCC(O)=O
| Property Value | |
| Mol Name | Cyanoacetic Acid |
| Molweight | 85.0618 |
| Monoisotopic Mass | 85.016379 |
| Clogp | -0.5991 |
| Clogs | -0.877 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 73.07 |
| Relative Psa | 0.54331 |
| Polar Surface Area | 61.09 |
| Druglikeness | -8.718 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.83333 |
| Molecular Flexibility | 0.65898 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | N#CCC(O)=O |
| InChIKey | InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6) |
| InChI | MLIREBYILWEBDM-UHFFFAOYSA-N |
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1 - Cyanoacetic Acid
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1 - Cyanoacetic Acid
2 - Cyanoacetic Acid
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