Chemical Name - Allyl Cyanide
Mol Weight - 67.0907
Smiles - C=CCC#N
Mol Weight - 67.0907
Smiles - C=CCC#N
| Property Value | |
| Mol Name | Allyl Cyanide |
| Molweight | 67.0907 |
| Monoisotopic Mass | 67.042199 |
| Clogp | 0.9461 |
| Clogs | -1.611 |
| H Acceptors | 1 |
| Total Surface Area | 73.51 |
| Relative Psa | 0.18446 |
| Polar Surface Area | 23.79 |
| Druglikeness | -11.895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.50251 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 1 |
| Smiles | C=CCC#N |
| InChIKey | InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2 |
| InChI | SJNALLRHIVGIBI-UHFFFAOYSA-N |
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