Chemical Name - Acrylonitrile
Mol Weight - 53.0638
Smiles - C=CC#N
Mol Weight - 53.0638
Smiles - C=CC#N
| Property Value | |
| Mol Name | Acrylonitrile |
| Molweight | 53.0638 |
| Monoisotopic Mass | 53.026549 |
| Clogp | 0.4917 |
| Clogs | -1.341 |
| H Acceptors | 1 |
| Total Surface Area | 59.75 |
| Relative Psa | 0.22695 |
| Polar Surface Area | 23.79 |
| Druglikeness | -8.7398 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Fragments | 1 |
| Non H Atoms | 4 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Smiles | C=CC#N |
| InChIKey | |
| InChI | C3H3N |
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1 - Acrylonitrile
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