Chemical Name - Propiononitrile
Mol Weight - 55.0797
Smiles - CCC#N
Mol Weight - 55.0797
Smiles - CCC#N
| Property Value | |
| Mol Name | Propiononitrile |
| Molweight | 55.0797 |
| Monoisotopic Mass | 55.042199 |
| Clogp | 0.6772 |
| Clogs | -1.402 |
| H Acceptors | 1 |
| Total Surface Area | 61.23 |
| Relative Psa | 0.22146 |
| Polar Surface Area | 23.79 |
| Druglikeness | -6.5525 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Fragments | 1 |
| Non H Atoms | 4 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Sp3 Atoms | 2 |
| Smiles | CCC#N |
| InChIKey | InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3 |
| InChI | FVSKHRXBFJPNKK-UHFFFAOYSA-N |
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1 - Propiononitrile
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