Chemical Name - Malononitrile
Mol Weight - 66.0629
Smiles - N#CCC#N
Mol Weight - 66.0629
Smiles - N#CCC#N
| Property Value | |
| Mol Name | Malononitrile |
| Molweight | 66.0629 |
| Monoisotopic Mass | 66.021798 |
| Clogp | -0.0772 |
| Clogs | -1.55 |
| H Acceptors | 2 |
| Total Surface Area | 70.68 |
| Relative Psa | 0.3837 |
| Polar Surface Area | 47.58 |
| Druglikeness | -9.205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | 1 |
| Shape Index | 1 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Smiles | N#CCC#N |
| InChIKey | InChI=1S/C3H2N2/c4-2-1-3-5/h1H2 |
| InChI | CUONGYYJJVDODC-UHFFFAOYSA-N |
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1 - Malononitrile
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2 - Malononitrile
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