Chemical Name - Acetonitrile
Mol Weight - 41.0528
Smiles - CC#N
Mol Weight - 41.0528
Smiles - CC#N
| Property Value | |
| Mol Name | Acetonitrile |
| Molweight | 41.0528 |
| Monoisotopic Mass | 41.026549 |
| Clogp | 0.2228 |
| Clogs | -1.132 |
| H Acceptors | 1 |
| Total Surface Area | 47.47 |
| Relative Psa | 0.28565 |
| Polar Surface Area | 23.79 |
| Druglikeness | -4.325 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Fragments | 1 |
| Non H Atoms | 3 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Sp3 Atoms | 1 |
| Smiles | CC#N |
| InChIKey | |
| InChI | C2H3N |
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1 - Acetonitrile
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