Chemical Name - Crotonic Acid
Mol Weight - 86.0896
Smiles - C/C=C/C(O)=O
Mol Weight - 86.0896
Smiles - C/C=C/C(O)=O
| Property Value | |
| Mol Name | Crotonic Acid |
| Molweight | 86.0896 |
| Monoisotopic Mass | 86.03678 |
| Clogp | 0.3575 |
| Clogs | -0.771 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 76.36 |
| Relative Psa | 0.34233 |
| Polar Surface Area | 37.3 |
| Druglikeness | -3.105 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.83333 |
| Molecular Flexibility | 0.45138 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | C/C=C/C(O)=O |
| InChIKey | InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6) |
| InChI | LDHQCZJRKDOVOX-UHFFFAOYSA-N |
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1 - Crotonic Acid
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